1-[5-[5-(dimethylamino)-3,4-dihydroxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]-4-[4-(hydroxymethyl)-2,2,3-trimethyl-5-oxoimidazolidin-1-yl]pyrimidin-2-one

C25H41N5O8 — CID 175460088

IUPAC1-[5-[5-(dimethylamino)-3,4-dihydroxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]-4-[4-(hydroxymethyl)-2,2,3-trimethyl-5-oxoimidazolidin-1-yl]pyrimidin-2-one
SMILESCC1OC(n2ccc(N3C(=O)C(CO)N(C)C3(C)C)nc2=O)CCC1OC1OC(C)C(N(C)C)C(O)C1O
InChIInChI=1S/C25H41N5O8/c1-13-16(38-23-21(33)20(32)19(27(5)6)14(2)37-23)8-9-18(36-13)29-11-10-17(26-24(29)35)30-22(34)15(12-31)28(7)25(30,3)4/h10-11,13-16,18-21,23,31-33H,8-9,12H2,1-7H3
InChIKeyCWRRKSBXABNZII-UHFFFAOYSA-N
MW539.63 g/mol
LogP-0.90
Rot. Bonds6

About 1-[5-[5-(dimethylamino)-3,4-dihydroxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]-4-[4-(hydroxymethyl)-2,2,3-trimethyl-5-oxoimidazolidin-1-yl]pyrimidin-2-one

1-[5-[5-(dimethylamino)-3,4-dihydroxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]-4-[4-(hydroxymethyl)-2,2,3-trimethyl-5-oxoimidazolidin-1-yl]pyrimidin-2-one (PubChem CID 175460088) has the molecular formula C25H41N5O8 and a molecular weight of 539.63 g/mol. Its IUPAC name is 1-[5-[5-(dimethylamino)-3,4-dihydroxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]-4-[4-(hydroxymethyl)-2,2,3-trimethyl-5-oxoimidazolidin-1-yl]pyrimidin-2-one.

Molecular Properties

Compound Name1-[5-[5-(dimethylamino)-3,4-dihydroxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]-4-[4-(hydroxymethyl)-2,2,3-trimethyl-5-oxoimidazolidin-1-yl]pyrimidin-2-one
PubChem CID175460088
Molecular FormulaC25H41N5O8
Molecular Weight539.63 g/mol
Exact Mass539.30
IUPAC Name1-[5-[5-(dimethylamino)-3,4-dihydroxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]-4-[4-(hydroxymethyl)-2,2,3-trimethyl-5-oxoimidazolidin-1-yl]pyrimidin-2-one
SMILESCC1OC(n2ccc(N3C(=O)C(CO)N(C)C3(C)C)nc2=O)CCC1OC1OC(C)C(N(C)C)C(O)C1O
InChIInChI=1S/C25H41N5O8/c1-13-16(38-23-21(33)20(32)19(27(5)6)14(2)37-23)8-9-18(36-13)29-11-10-17(26-24(29)35)30-22(34)15(12-31)28(7)25(30,3)4/h10-11,13-16,18-21,23,31-33H,8-9,12H2,1-7H3
InChIKeyCWRRKSBXABNZII-UHFFFAOYSA-N
XLogP-0.90
TPSA150.06 Ų
H-Bond Donors3
H-Bond Acceptors12
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500539.63
LogP ≤ 5-0.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1012

Analyze 1-[5-[5-(dimethylamino)-3,4-dihydroxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]-4-[4-(hydroxymethyl)-2,2,3-trimethyl-5-oxoimidazolidin-1-yl]pyrimidin-2-one with MolForge

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Related Compounds

N-[1-[5-[5-(dimethylamino)-3,4-dihydroxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]-2-oxopyrimidin-4-yl]-3-methylbutanamide
CID 142536936
4-amino-N-[1-[(2R,5S,6R)-5-[(2R,3R,4S,5S,6R)-5-(dimethylamino)-3,4-dihydroxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]-2-oxopyrimidin-4-yl]benzamide
CID 10481692
4-(dimethylamino)-1-[5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one;methanol
CID 169201542
N-[1-(5-hydroxy-6-methyloxan-2-yl)-2-oxopyrimidin-4-yl]-3-methylbutanamide
CID 162940499
N-[1-(5-hydroxy-6-methyloxan-2-yl)-2-oxopyrimidin-4-yl]-2-phenylacetamide
CID 162814098
4-amino-1-[5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one;methanol
CID 142192944
4-ethynoxy-1-[5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one;fluoromethane
CID 167445812
N'-[1-[5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]-N,N-dimethylmethanimidamide
CID 19821113
4-(dimethylamino)-1-[(2R,4R,5R)-4-hydroxy-5-(tritiomethyl)oxolan-2-yl]pyrimidin-2-one
CID 121479666
(3R,4S,5S,6R)-5-(dimethylamino)-2-methoxy-6-methyloxane-3,4-diol
CID 22887281
4-amino-1-[(2R,4S,5R)-4-hydroxy-5-methyloxolan-2-yl]pyrimidin-2-one
CID 13188950
4-amino-1-[(2R,5S)-5-(2-hydroxyethyl)oxolan-2-yl]pyrimidin-2-one
CID 166811766

Frequently Asked Questions

What is the IUPAC name of 1-[5-[5-(dimethylamino)-3,4-dihydroxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]-4-[4-(hydroxymethyl)-2,2,3-trimethyl-5-oxoimidazolidin-1-yl]pyrimidin-2-one?
The IUPAC name of 1-[5-[5-(dimethylamino)-3,4-dihydroxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]-4-[4-(hydroxymethyl)-2,2,3-trimethyl-5-oxoimidazolidin-1-yl]pyrimidin-2-one (CID 175460088) is 1-[5-[5-(dimethylamino)-3,4-dihydroxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]-4-[4-(hydroxymethyl)-2,2,3-trimethyl-5-oxoimidazolidin-1-yl]pyrimidin-2-one.
What is the SMILES notation for 1-[5-[5-(dimethylamino)-3,4-dihydroxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]-4-[4-(hydroxymethyl)-2,2,3-trimethyl-5-oxoimidazolidin-1-yl]pyrimidin-2-one?
The canonical SMILES for 1-[5-[5-(dimethylamino)-3,4-dihydroxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]-4-[4-(hydroxymethyl)-2,2,3-trimethyl-5-oxoimidazolidin-1-yl]pyrimidin-2-one is CC1OC(n2ccc(N3C(=O)C(CO)N(C)C3(C)C)nc2=O)CCC1OC1OC(C)C(N(C)C)C(O)C1O.
What is the InChIKey of 1-[5-[5-(dimethylamino)-3,4-dihydroxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]-4-[4-(hydroxymethyl)-2,2,3-trimethyl-5-oxoimidazolidin-1-yl]pyrimidin-2-one?
The InChIKey is CWRRKSBXABNZII-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H41N5O8/c1-13-16(38-23-21(33)20(32)19(27(5)6)14(2)37-23)8-9-18(36-13)29-11-10-17(26-24(29)35)30-22(34)15(12-31)28(7)25(30,3)4/h10-11,13-16,18-21,23,31-33H,8-9,12H2,1-7H3.
What are the key properties of 1-[5-[5-(dimethylamino)-3,4-dihydroxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]-4-[4-(hydroxymethyl)-2,2,3-trimethyl-5-oxoimidazolidin-1-yl]pyrimidin-2-one?
1-[5-[5-(dimethylamino)-3,4-dihydroxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]-4-[4-(hydroxymethyl)-2,2,3-trimethyl-5-oxoimidazolidin-1-yl]pyrimidin-2-one has a molecular weight of 539.63 g/mol, XLogP of -0.90, 6 rotatable bonds, 3 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[5-(dimethylamino)-3,4-dihydroxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]-4-[4-(hydroxymethyl)-2,2,3-trimethyl-5-oxoimidazolidin-1-yl]pyrimidin-2-one is sourced from PubChem (CID 175460088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).