(2R)-2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-3-methyl-1-pyrrolidin-1-ylbutan-1-one

C14H22N4OS — CID 95940201

IUPAC(2R)-2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-3-methyl-1-pyrrolidin-1-ylbutan-1-one
SMILESCc1cc(N)nc(S[C@@H](C(=O)N2CCCC2)C(C)C)n1
InChIInChI=1S/C14H22N4OS/c1-9(2)12(13(19)18-6-4-5-7-18)20-14-16-10(3)8-11(15)17-14/h8-9,12H,4-7H2,1-3H3,(H2,15,16,17)/t12-/m1/s1
InChIKeyBSCHNMVNKPBCAH-GFCCVEGCSA-N
MW294.42 g/mol
LogP2.11
Rot. Bonds4

About (2R)-2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-3-methyl-1-pyrrolidin-1-ylbutan-1-one

(2R)-2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-3-methyl-1-pyrrolidin-1-ylbutan-1-one (PubChem CID 95940201) has the molecular formula C14H22N4OS and a molecular weight of 294.42 g/mol. Its IUPAC name is (2R)-2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-3-methyl-1-pyrrolidin-1-ylbutan-1-one.

Molecular Properties

Compound Name(2R)-2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-3-methyl-1-pyrrolidin-1-ylbutan-1-one
PubChem CID95940201
Molecular FormulaC14H22N4OS
Molecular Weight294.42 g/mol
Exact Mass294.15
IUPAC Name(2R)-2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-3-methyl-1-pyrrolidin-1-ylbutan-1-one
SMILESCc1cc(N)nc(S[C@@H](C(=O)N2CCCC2)C(C)C)n1
InChIInChI=1S/C14H22N4OS/c1-9(2)12(13(19)18-6-4-5-7-18)20-14-16-10(3)8-11(15)17-14/h8-9,12H,4-7H2,1-3H3,(H2,15,16,17)/t12-/m1/s1
InChIKeyBSCHNMVNKPBCAH-GFCCVEGCSA-N
XLogP2.11
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.42
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2R)-2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-3-methyl-1-pyrrolidin-1-ylbutan-1-one with MolForge

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Related Compounds

2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-3-methyl-1-(2-methylpiperidin-1-yl)butan-1-one
CID 71898124
2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-1-(azocan-1-yl)ethanone
CID 51073353
(2S)-2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-1-morpholin-4-yl-2-phenylethanone
CID 40658340
2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-1-(2,3-dihydroindol-1-yl)propan-1-one
CID 43028761
2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-cyclohexyl-N-ethylpropanamide
CID 18130864
(2R)-2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-[(2S)-butan-2-yl]propanamide
CID 37060825
2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-prop-2-ynylpropanamide
CID 47145388
(2R)-2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-1-(2,5-dimethylphenyl)propan-1-one
CID 30834816
(2S)-2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-1-(2,4,5-trimethylphenyl)propan-1-one
CID 38968288
1-(azepan-1-yl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanylethanone
CID 56731932
(3S)-1-[(2R)-3-methyl-2-(2,3,5,6-tetramethylphenyl)sulfanylbutanoyl]piperidine-3-carboxamide
CID 97003287
1-(1-acetyl-2,3-dihydroindol-5-yl)-2-(4-amino-6-methylpyrimidin-2-yl)sulfanylpropan-1-one
CID 51113371

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-3-methyl-1-pyrrolidin-1-ylbutan-1-one?
The IUPAC name of (2R)-2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-3-methyl-1-pyrrolidin-1-ylbutan-1-one (CID 95940201) is (2R)-2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-3-methyl-1-pyrrolidin-1-ylbutan-1-one.
What is the SMILES notation for (2R)-2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-3-methyl-1-pyrrolidin-1-ylbutan-1-one?
The canonical SMILES for (2R)-2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-3-methyl-1-pyrrolidin-1-ylbutan-1-one is Cc1cc(N)nc(S[C@@H](C(=O)N2CCCC2)C(C)C)n1.
What is the InChIKey of (2R)-2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-3-methyl-1-pyrrolidin-1-ylbutan-1-one?
The InChIKey is BSCHNMVNKPBCAH-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H22N4OS/c1-9(2)12(13(19)18-6-4-5-7-18)20-14-16-10(3)8-11(15)17-14/h8-9,12H,4-7H2,1-3H3,(H2,15,16,17)/t12-/m1/s1.
What are the key properties of (2R)-2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-3-methyl-1-pyrrolidin-1-ylbutan-1-one?
(2R)-2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-3-methyl-1-pyrrolidin-1-ylbutan-1-one has a molecular weight of 294.42 g/mol, XLogP of 2.11, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-3-methyl-1-pyrrolidin-1-ylbutan-1-one is sourced from PubChem (CID 95940201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).