4-amino-1-[2-(methoxymethyl)-1,3-oxathiolan-4-yl]-5-methylpyrimidin-2-one;4-amino-1-(2-methoxy-1,3-oxathiolan-4-yl)-5-methylpyrimidin-2-one;N-[1-[(2R,3S,4S,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]-2-oxopyrimidin-4-yl]propanamide;N-[1-[(2R,3S,4S,5R)-5-ethyl-3,4-dihydroxyoxolan-2-yl]-2-oxopyrimidin-4-yl]propanamide

C44H64N12O16S2 — CID 160974971

IUPAC4-amino-1-[2-(methoxymethyl)-1,3-oxathiolan-4-yl]-5-methylpyrimidin-2-one;4-amino-1-(2-methoxy-1,3-oxathiolan-4-yl)-5-methylpyrimidin-2-one;N-[1-[(2R,3S,4S,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]-2-oxopyrimidin-4-yl]propanamide;N-[1-[(2R,3S,4S,5R)-5-ethyl-3,4-dihydroxyoxolan-2-yl]-2-oxopyrimidin-4-yl]propanamide
SMILESCCC(=O)Nc1ccn([C@@H]2O[C@H](C)[C@@H](O)[C@@H]2O)c(=O)n1.CCC(=O)Nc1ccn([C@@H]2O[C@H](CC)[C@@H](O)[C@@H]2O)c(=O)n1.COC1OCC(n2cc(C)c(N)nc2=O)S1.COCC1OCC(n2cc(C)c(N)nc2=O)S1
InChIInChI=1S/C13H19N3O5.C12H17N3O5.C10H15N3O3S.C9H13N3O3S/c1-3-7-10(18)11(19)12(21-7)16-6-5-8(15-13(16)20)14-9(17)4-2;1-3-8(16)13-7-4-5-15(12(19)14-7)11-10(18)9(17)6(2)20-11;1-6-3-13(10(14)12-9(6)11)7-4-16-8(17-7)5-15-2;1-5-3-12(8(13)11-7(5)10)6-4-15-9(14-2)16-6/h5-7,10-12,18-19H,3-4H2,1-2H3,(H,14,15,17,20);4-6,9-11,17-18H,3H2,1-2H3,(H,13,14,16,19);3,7-8H,4-5H2,1-2H3,(H2,11,12,14);3,6,9H,4H2,1-2H3,(H2,10,11,13)/t7-,10-,11+,12-;6-,9-,10+,11-;;/m11../s1
InChIKeySYSWHGZYGAAQIO-QLQBCVBDSA-N
MW1081.20 g/mol
LogP-0.45
Rot. Bonds12

About 4-amino-1-[2-(methoxymethyl)-1,3-oxathiolan-4-yl]-5-methylpyrimidin-2-one;4-amino-1-(2-methoxy-1,3-oxathiolan-4-yl)-5-methylpyrimidin-2-one;N-[1-[(2R,3S,4S,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]-2-oxopyrimidin-4-yl]propanamide;N-[1-[(2R,3S,4S,5R)-5-ethyl-3,4-dihydroxyoxolan-2-yl]-2-oxopyrimidin-4-yl]propanamide

4-amino-1-[2-(methoxymethyl)-1,3-oxathiolan-4-yl]-5-methylpyrimidin-2-one;4-amino-1-(2-methoxy-1,3-oxathiolan-4-yl)-5-methylpyrimidin-2-one;N-[1-[(2R,3S,4S,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]-2-oxopyrimidin-4-yl]propanamide;N-[1-[(2R,3S,4S,5R)-5-ethyl-3,4-dihydroxyoxolan-2-yl]-2-oxopyrimidin-4-yl]propanamide (PubChem CID 160974971) has the molecular formula C44H64N12O16S2 and a molecular weight of 1081.20 g/mol. Its IUPAC name is 4-amino-1-[2-(methoxymethyl)-1,3-oxathiolan-4-yl]-5-methylpyrimidin-2-one;4-amino-1-(2-methoxy-1,3-oxathiolan-4-yl)-5-methylpyrimidin-2-one;N-[1-[(2R,3S,4S,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]-2-oxopyrimidin-4-yl]propanamide;N-[1-[(2R,3S,4S,5R)-5-ethyl-3,4-dihydroxyoxolan-2-yl]-2-oxopyrimidin-4-yl]propanamide.

Molecular Properties

Compound Name4-amino-1-[2-(methoxymethyl)-1,3-oxathiolan-4-yl]-5-methylpyrimidin-2-one;4-amino-1-(2-methoxy-1,3-oxathiolan-4-yl)-5-methylpyrimidin-2-one;N-[1-[(2R,3S,4S,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]-2-oxopyrimidin-4-yl]propanamide;N-[1-[(2R,3S,4S,5R)-5-ethyl-3,4-dihydroxyoxolan-2-yl]-2-oxopyrimidin-4-yl]propanamide
PubChem CID160974971
Molecular FormulaC44H64N12O16S2
Molecular Weight1081.20 g/mol
Exact Mass1080.40
IUPAC Name4-amino-1-[2-(methoxymethyl)-1,3-oxathiolan-4-yl]-5-methylpyrimidin-2-one;4-amino-1-(2-methoxy-1,3-oxathiolan-4-yl)-5-methylpyrimidin-2-one;N-[1-[(2R,3S,4S,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]-2-oxopyrimidin-4-yl]propanamide;N-[1-[(2R,3S,4S,5R)-5-ethyl-3,4-dihydroxyoxolan-2-yl]-2-oxopyrimidin-4-yl]propanamide
SMILESCCC(=O)Nc1ccn([C@@H]2O[C@H](C)[C@@H](O)[C@@H]2O)c(=O)n1.CCC(=O)Nc1ccn([C@@H]2O[C@H](CC)[C@@H](O)[C@@H]2O)c(=O)n1.COC1OCC(n2cc(C)c(N)nc2=O)S1.COCC1OCC(n2cc(C)c(N)nc2=O)S1
InChIInChI=1S/C13H19N3O5.C12H17N3O5.C10H15N3O3S.C9H13N3O3S/c1-3-7-10(18)11(19)12(21-7)16-6-5-8(15-13(16)20)14-9(17)4-2;1-3-8(16)13-7-4-5-15(12(19)14-7)11-10(18)9(17)6(2)20-11;1-6-3-13(10(14)12-9(6)11)7-4-16-8(17-7)5-15-2;1-5-3-12(8(13)11-7(5)10)6-4-15-9(14-2)16-6/h5-7,10-12,18-19H,3-4H2,1-2H3,(H,14,15,17,20);4-6,9-11,17-18H,3H2,1-2H3,(H,13,14,16,19);3,7-8H,4-5H2,1-2H3,(H2,11,12,14);3,6,9H,4H2,1-2H3,(H2,10,11,13)/t7-,10-,11+,12-;6-,9-,10+,11-;;/m11../s1
InChIKeySYSWHGZYGAAQIO-QLQBCVBDSA-N
XLogP-0.45
TPSA386.10 Ų
H-Bond Donors8
H-Bond Acceptors28
Rotatable Bonds12
Heavy Atoms74
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001081.20
LogP ≤ 5-0.45
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1028

Analyze 4-amino-1-[2-(methoxymethyl)-1,3-oxathiolan-4-yl]-5-methylpyrimidin-2-one;4-amino-1-(2-methoxy-1,3-oxathiolan-4-yl)-5-methylpyrimidin-2-one;N-[1-[(2R,3S,4S,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]-2-oxopyrimidin-4-yl]propanamide;N-[1-[(2R,3S,4S,5R)-5-ethyl-3,4-dihydroxyoxolan-2-yl]-2-oxopyrimidin-4-yl]propanamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-amino-1-[2-(methoxymethyl)-1,3-oxathiolan-4-yl]-5-methylpyrimidin-2-one;4-amino-1-(2-methoxy-1,3-oxathiolan-4-yl)-5-methylpyrimidin-2-one;N-[1-[(2R,3S,4S,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]-2-oxopyrimidin-4-yl]propanamide;N-[1-[(2R,3S,4S,5R)-5-ethyl-3,4-dihydroxyoxolan-2-yl]-2-oxopyrimidin-4-yl]propanamide?
The IUPAC name of 4-amino-1-[2-(methoxymethyl)-1,3-oxathiolan-4-yl]-5-methylpyrimidin-2-one;4-amino-1-(2-methoxy-1,3-oxathiolan-4-yl)-5-methylpyrimidin-2-one;N-[1-[(2R,3S,4S,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]-2-oxopyrimidin-4-yl]propanamide;N-[1-[(2R,3S,4S,5R)-5-ethyl-3,4-dihydroxyoxolan-2-yl]-2-oxopyrimidin-4-yl]propanamide (CID 160974971) is 4-amino-1-[2-(methoxymethyl)-1,3-oxathiolan-4-yl]-5-methylpyrimidin-2-one;4-amino-1-(2-methoxy-1,3-oxathiolan-4-yl)-5-methylpyrimidin-2-one;N-[1-[(2R,3S,4S,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]-2-oxopyrimidin-4-yl]propanamide;N-[1-[(2R,3S,4S,5R)-5-ethyl-3,4-dihydroxyoxolan-2-yl]-2-oxopyrimidin-4-yl]propanamide.
What is the SMILES notation for 4-amino-1-[2-(methoxymethyl)-1,3-oxathiolan-4-yl]-5-methylpyrimidin-2-one;4-amino-1-(2-methoxy-1,3-oxathiolan-4-yl)-5-methylpyrimidin-2-one;N-[1-[(2R,3S,4S,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]-2-oxopyrimidin-4-yl]propanamide;N-[1-[(2R,3S,4S,5R)-5-ethyl-3,4-dihydroxyoxolan-2-yl]-2-oxopyrimidin-4-yl]propanamide?
The canonical SMILES for 4-amino-1-[2-(methoxymethyl)-1,3-oxathiolan-4-yl]-5-methylpyrimidin-2-one;4-amino-1-(2-methoxy-1,3-oxathiolan-4-yl)-5-methylpyrimidin-2-one;N-[1-[(2R,3S,4S,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]-2-oxopyrimidin-4-yl]propanamide;N-[1-[(2R,3S,4S,5R)-5-ethyl-3,4-dihydroxyoxolan-2-yl]-2-oxopyrimidin-4-yl]propanamide is CCC(=O)Nc1ccn([C@@H]2O[C@H](C)[C@@H](O)[C@@H]2O)c(=O)n1.CCC(=O)Nc1ccn([C@@H]2O[C@H](CC)[C@@H](O)[C@@H]2O)c(=O)n1.COC1OCC(n2cc(C)c(N)nc2=O)S1.COCC1OCC(n2cc(C)c(N)nc2=O)S1.
What is the InChIKey of 4-amino-1-[2-(methoxymethyl)-1,3-oxathiolan-4-yl]-5-methylpyrimidin-2-one;4-amino-1-(2-methoxy-1,3-oxathiolan-4-yl)-5-methylpyrimidin-2-one;N-[1-[(2R,3S,4S,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]-2-oxopyrimidin-4-yl]propanamide;N-[1-[(2R,3S,4S,5R)-5-ethyl-3,4-dihydroxyoxolan-2-yl]-2-oxopyrimidin-4-yl]propanamide?
The InChIKey is SYSWHGZYGAAQIO-QLQBCVBDSA-N. The full InChI is InChI=1S/C13H19N3O5.C12H17N3O5.C10H15N3O3S.C9H13N3O3S/c1-3-7-10(18)11(19)12(21-7)16-6-5-8(15-13(16)20)14-9(17)4-2;1-3-8(16)13-7-4-5-15(12(19)14-7)11-10(18)9(17)6(2)20-11;1-6-3-13(10(14)12-9(6)11)7-4-16-8(17-7)5-15-2;1-5-3-12(8(13)11-7(5)10)6-4-15-9(14-2)16-6/h5-7,10-12,18-19H,3-4H2,1-2H3,(H,14,15,17,20);4-6,9-11,17-18H,3H2,1-2H3,(H,13,14,16,19);3,7-8H,4-5H2,1-2H3,(H2,11,12,14);3,6,9H,4H2,1-2H3,(H2,10,11,13)/t7-,10-,11+,12-;6-,9-,10+,11-;;/m11../s1.
What are the key properties of 4-amino-1-[2-(methoxymethyl)-1,3-oxathiolan-4-yl]-5-methylpyrimidin-2-one;4-amino-1-(2-methoxy-1,3-oxathiolan-4-yl)-5-methylpyrimidin-2-one;N-[1-[(2R,3S,4S,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]-2-oxopyrimidin-4-yl]propanamide;N-[1-[(2R,3S,4S,5R)-5-ethyl-3,4-dihydroxyoxolan-2-yl]-2-oxopyrimidin-4-yl]propanamide?
4-amino-1-[2-(methoxymethyl)-1,3-oxathiolan-4-yl]-5-methylpyrimidin-2-one;4-amino-1-(2-methoxy-1,3-oxathiolan-4-yl)-5-methylpyrimidin-2-one;N-[1-[(2R,3S,4S,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]-2-oxopyrimidin-4-yl]propanamide;N-[1-[(2R,3S,4S,5R)-5-ethyl-3,4-dihydroxyoxolan-2-yl]-2-oxopyrimidin-4-yl]propanamide has a molecular weight of 1081.20 g/mol, XLogP of -0.45, 12 rotatable bonds, 8 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-[2-(methoxymethyl)-1,3-oxathiolan-4-yl]-5-methylpyrimidin-2-one;4-amino-1-(2-methoxy-1,3-oxathiolan-4-yl)-5-methylpyrimidin-2-one;N-[1-[(2R,3S,4S,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]-2-oxopyrimidin-4-yl]propanamide;N-[1-[(2R,3S,4S,5R)-5-ethyl-3,4-dihydroxyoxolan-2-yl]-2-oxopyrimidin-4-yl]propanamide is sourced from PubChem (CID 160974971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).