(2S)-2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-(5-chloro-2-pyridinyl)propanamide

C13H14ClN5OS — CID 40663409

IUPAC(2S)-2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-(5-chloro-2-pyridinyl)propanamide
SMILESCc1cc(N)nc(S[C@@H](C)C(=O)Nc2ccc(Cl)cn2)n1
InChIInChI=1S/C13H14ClN5OS/c1-7-5-10(15)18-13(17-7)21-8(2)12(20)19-11-4-3-9(14)6-16-11/h3-6,8H,1-2H3,(H2,15,17,18)(H,16,19,20)/t8-/m0/s1
InChIKeyWQCCDFVCQJNQFY-QMMMGPOBSA-N
MW323.81 g/mol
LogP2.53
Rot. Bonds4

About (2S)-2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-(5-chloro-2-pyridinyl)propanamide

(2S)-2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-(5-chloro-2-pyridinyl)propanamide (PubChem CID 40663409) has the molecular formula C13H14ClN5OS and a molecular weight of 323.81 g/mol. Its IUPAC name is (2S)-2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-(5-chloro-2-pyridinyl)propanamide.

Molecular Properties

Compound Name(2S)-2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-(5-chloro-2-pyridinyl)propanamide
PubChem CID40663409
Molecular FormulaC13H14ClN5OS
Molecular Weight323.81 g/mol
Exact Mass323.06
IUPAC Name(2S)-2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-(5-chloro-2-pyridinyl)propanamide
SMILESCc1cc(N)nc(S[C@@H](C)C(=O)Nc2ccc(Cl)cn2)n1
InChIInChI=1S/C13H14ClN5OS/c1-7-5-10(15)18-13(17-7)21-8(2)12(20)19-11-4-3-9(14)6-16-11/h3-6,8H,1-2H3,(H2,15,17,18)(H,16,19,20)/t8-/m0/s1
InChIKeyWQCCDFVCQJNQFY-QMMMGPOBSA-N
XLogP2.53
TPSA93.79 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.81
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(2R)-N-(5-chloro-2-pyridinyl)-2-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]propanamide
CID 2475372
(2R)-N-(5-chloro-2-pyridinyl)-2-(2,5-dichlorophenyl)sulfanylpropanamide
CID 2536471
(2R)-N-(4-chlorophenyl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanylpropanamide
CID 975208
(2S)-2-amino-N-(5-chloro-2-pyridinyl)propanamide
CID 61146165
(2R)-N-(3-chloro-4-fluorophenyl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanylpropanamide
CID 41417259
N-(5-chloro-2-pyridinyl)-2-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide
CID 18083179
(2S)-2-[[4-amino-5-(4-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(5-chloro-2-pyridinyl)propanamide
CID 40797731
(2R)-2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-(phenylcarbamoyl)propanamide
CID 41024083
N-(5-chloro-2-pyridinyl)-2-[[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]propanamide
CID 42975870
(2R)-N-(5-chloro-2-pyridinyl)-2-[(3-cyano-4,5,6-trimethyl-2-pyridinyl)sulfanyl]propanamide
CID 7491560
(2R)-2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-[(2S)-butan-2-yl]propanamide
CID 37060825
2-amino-N-(5-chloro-2-pyridinyl)-3-methylbutanamide
CID 76892362

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-(5-chloro-2-pyridinyl)propanamide?
The IUPAC name of (2S)-2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-(5-chloro-2-pyridinyl)propanamide (CID 40663409) is (2S)-2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-(5-chloro-2-pyridinyl)propanamide.
What is the SMILES notation for (2S)-2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-(5-chloro-2-pyridinyl)propanamide?
The canonical SMILES for (2S)-2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-(5-chloro-2-pyridinyl)propanamide is Cc1cc(N)nc(S[C@@H](C)C(=O)Nc2ccc(Cl)cn2)n1.
What is the InChIKey of (2S)-2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-(5-chloro-2-pyridinyl)propanamide?
The InChIKey is WQCCDFVCQJNQFY-QMMMGPOBSA-N. The full InChI is InChI=1S/C13H14ClN5OS/c1-7-5-10(15)18-13(17-7)21-8(2)12(20)19-11-4-3-9(14)6-16-11/h3-6,8H,1-2H3,(H2,15,17,18)(H,16,19,20)/t8-/m0/s1.
What are the key properties of (2S)-2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-(5-chloro-2-pyridinyl)propanamide?
(2S)-2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-(5-chloro-2-pyridinyl)propanamide has a molecular weight of 323.81 g/mol, XLogP of 2.53, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-(5-chloro-2-pyridinyl)propanamide is sourced from PubChem (CID 40663409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).