N-[[3-(dimethylamino)thiolan-3-yl]methyl]-6-methoxypyrimidin-4-amine

C12H20N4OS — CID 50979529

IUPACN-[[3-(dimethylamino)thiolan-3-yl]methyl]-6-methoxypyrimidin-4-amine
SMILESCOc1cc(NCC2(N(C)C)CCSC2)ncn1
InChIInChI=1S/C12H20N4OS/c1-16(2)12(4-5-18-8-12)7-13-10-6-11(17-3)15-9-14-10/h6,9H,4-5,7-8H2,1-3H3,(H,13,14,15)
InChIKeyISFSUCZAOUVIKS-UHFFFAOYSA-N
MW268.39 g/mol
LogP1.33
Rot. Bonds5

About N-[[3-(dimethylamino)thiolan-3-yl]methyl]-6-methoxypyrimidin-4-amine

N-[[3-(dimethylamino)thiolan-3-yl]methyl]-6-methoxypyrimidin-4-amine (PubChem CID 50979529) has the molecular formula C12H20N4OS and a molecular weight of 268.39 g/mol. Its IUPAC name is N-[[3-(dimethylamino)thiolan-3-yl]methyl]-6-methoxypyrimidin-4-amine.

Molecular Properties

Compound NameN-[[3-(dimethylamino)thiolan-3-yl]methyl]-6-methoxypyrimidin-4-amine
PubChem CID50979529
Molecular FormulaC12H20N4OS
Molecular Weight268.39 g/mol
Exact Mass268.14
IUPAC NameN-[[3-(dimethylamino)thiolan-3-yl]methyl]-6-methoxypyrimidin-4-amine
SMILESCOc1cc(NCC2(N(C)C)CCSC2)ncn1
InChIInChI=1S/C12H20N4OS/c1-16(2)12(4-5-18-8-12)7-13-10-6-11(17-3)15-9-14-10/h6,9H,4-5,7-8H2,1-3H3,(H,13,14,15)
InChIKeyISFSUCZAOUVIKS-UHFFFAOYSA-N
XLogP1.33
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.39
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[3-(dimethylamino)thiolan-3-yl]methyl]-6-methoxypyrimidin-4-amine?
The IUPAC name of N-[[3-(dimethylamino)thiolan-3-yl]methyl]-6-methoxypyrimidin-4-amine (CID 50979529) is N-[[3-(dimethylamino)thiolan-3-yl]methyl]-6-methoxypyrimidin-4-amine.
What is the SMILES notation for N-[[3-(dimethylamino)thiolan-3-yl]methyl]-6-methoxypyrimidin-4-amine?
The canonical SMILES for N-[[3-(dimethylamino)thiolan-3-yl]methyl]-6-methoxypyrimidin-4-amine is COc1cc(NCC2(N(C)C)CCSC2)ncn1.
What is the InChIKey of N-[[3-(dimethylamino)thiolan-3-yl]methyl]-6-methoxypyrimidin-4-amine?
The InChIKey is ISFSUCZAOUVIKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4OS/c1-16(2)12(4-5-18-8-12)7-13-10-6-11(17-3)15-9-14-10/h6,9H,4-5,7-8H2,1-3H3,(H,13,14,15).
What are the key properties of N-[[3-(dimethylamino)thiolan-3-yl]methyl]-6-methoxypyrimidin-4-amine?
N-[[3-(dimethylamino)thiolan-3-yl]methyl]-6-methoxypyrimidin-4-amine has a molecular weight of 268.39 g/mol, XLogP of 1.33, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(dimethylamino)thiolan-3-yl]methyl]-6-methoxypyrimidin-4-amine is sourced from PubChem (CID 50979529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).