N-[(3S,4S)-4-methoxy-1,1-dioxothiolan-3-yl]-4,6-dimethylpyrimidin-2-amine

C11H17N3O3S — CID 131913220

IUPACN-[(3S,4S)-4-methoxy-1,1-dioxothiolan-3-yl]-4,6-dimethylpyrimidin-2-amine
SMILESCO[C@@H]1CS(=O)(=O)C[C@H]1Nc1nc(C)cc(C)n1
InChIInChI=1S/C11H17N3O3S/c1-7-4-8(2)13-11(12-7)14-9-5-18(15,16)6-10(9)17-3/h4,9-10H,5-6H2,1-3H3,(H,12,13,14)/t9-,10-/m1/s1
InChIKeyCEMULQGHKYMTSP-NXEZZACHSA-N
MW271.34 g/mol
LogP0.32
Rot. Bonds3

About N-[(3S,4S)-4-methoxy-1,1-dioxothiolan-3-yl]-4,6-dimethylpyrimidin-2-amine

N-[(3S,4S)-4-methoxy-1,1-dioxothiolan-3-yl]-4,6-dimethylpyrimidin-2-amine (PubChem CID 131913220) has the molecular formula C11H17N3O3S and a molecular weight of 271.34 g/mol. Its IUPAC name is N-[(3S,4S)-4-methoxy-1,1-dioxothiolan-3-yl]-4,6-dimethylpyrimidin-2-amine.

Molecular Properties

Compound NameN-[(3S,4S)-4-methoxy-1,1-dioxothiolan-3-yl]-4,6-dimethylpyrimidin-2-amine
PubChem CID131913220
Molecular FormulaC11H17N3O3S
Molecular Weight271.34 g/mol
Exact Mass271.10
IUPAC NameN-[(3S,4S)-4-methoxy-1,1-dioxothiolan-3-yl]-4,6-dimethylpyrimidin-2-amine
SMILESCO[C@@H]1CS(=O)(=O)C[C@H]1Nc1nc(C)cc(C)n1
InChIInChI=1S/C11H17N3O3S/c1-7-4-8(2)13-11(12-7)14-9-5-18(15,16)6-10(9)17-3/h4,9-10H,5-6H2,1-3H3,(H,12,13,14)/t9-,10-/m1/s1
InChIKeyCEMULQGHKYMTSP-NXEZZACHSA-N
XLogP0.32
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.34
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[(3S,4S)-4-methoxy-1,1-dioxothiolan-3-yl]-4,6-dimethylpyrimidin-2-amine with MolForge

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Related Compounds

N-[(3S,4S)-4-methoxy-1,1-dioxothiolan-3-yl]-2-methylpyrimidin-4-amine
CID 131899295
N-(1,1-dioxothian-4-yl)-4,6-dimethylpyrimidin-2-amine
CID 43615421
N-[(3S,4S)-4-methoxy-1,1-dioxothiolan-3-yl]-5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 119074249
4-methoxy-N-(2-methoxycyclopentyl)-6-methylpyrimidin-2-amine
CID 112699094
4,6-dimethyl-N-(2-methylcyclopentyl)pyrimidin-2-amine
CID 63281309
2-[(4,6-dimethylpyrimidin-2-yl)amino]cycloheptane-1-carboxamide
CID 84592830
methyl 4-[(4,6-dimethylpyrimidin-2-yl)amino]cyclohexane-1-carboxylate
CID 112689982
cis-(1S,2R)-2-[(4-methoxy-6-methylpyrimidin-2-yl)amino]cyclopentane-1-carboxylic acid
CID 138032937
2-amino-4-ethyl-N-[(3S,4S)-4-methoxy-1,1-dioxothiolan-3-yl]-1,3-thiazole-5-carboxamide
CID 77082358
2-N-(1,1-dioxothiolan-3-yl)-6-methyl-4-N-propan-2-ylpyrimidine-2,4-diamine
CID 112907115
N-(3-ethyl-2-methylcyclopentyl)-4,6-dimethylpyrimidin-2-amine
CID 64915028
2-[(4-methyl-6-propan-2-yloxypyrimidin-2-yl)amino]cyclohexane-1-carboxylic acid
CID 115973097

Frequently Asked Questions

What is the IUPAC name of N-[(3S,4S)-4-methoxy-1,1-dioxothiolan-3-yl]-4,6-dimethylpyrimidin-2-amine?
The IUPAC name of N-[(3S,4S)-4-methoxy-1,1-dioxothiolan-3-yl]-4,6-dimethylpyrimidin-2-amine (CID 131913220) is N-[(3S,4S)-4-methoxy-1,1-dioxothiolan-3-yl]-4,6-dimethylpyrimidin-2-amine.
What is the SMILES notation for N-[(3S,4S)-4-methoxy-1,1-dioxothiolan-3-yl]-4,6-dimethylpyrimidin-2-amine?
The canonical SMILES for N-[(3S,4S)-4-methoxy-1,1-dioxothiolan-3-yl]-4,6-dimethylpyrimidin-2-amine is CO[C@@H]1CS(=O)(=O)C[C@H]1Nc1nc(C)cc(C)n1.
What is the InChIKey of N-[(3S,4S)-4-methoxy-1,1-dioxothiolan-3-yl]-4,6-dimethylpyrimidin-2-amine?
The InChIKey is CEMULQGHKYMTSP-NXEZZACHSA-N. The full InChI is InChI=1S/C11H17N3O3S/c1-7-4-8(2)13-11(12-7)14-9-5-18(15,16)6-10(9)17-3/h4,9-10H,5-6H2,1-3H3,(H,12,13,14)/t9-,10-/m1/s1.
What are the key properties of N-[(3S,4S)-4-methoxy-1,1-dioxothiolan-3-yl]-4,6-dimethylpyrimidin-2-amine?
N-[(3S,4S)-4-methoxy-1,1-dioxothiolan-3-yl]-4,6-dimethylpyrimidin-2-amine has a molecular weight of 271.34 g/mol, XLogP of 0.32, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4S)-4-methoxy-1,1-dioxothiolan-3-yl]-4,6-dimethylpyrimidin-2-amine is sourced from PubChem (CID 131913220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).