N-[4-(6-chloro-5-propan-2-ylpyrimidin-4-yl)sulfanylphenyl]acetamide

C15H16ClN3OS — CID 63731436

IUPACN-[4-(6-chloro-5-propan-2-ylpyrimidin-4-yl)sulfanylphenyl]acetamide
SMILESCC(=O)Nc1ccc(Sc2ncnc(Cl)c2C(C)C)cc1
InChIInChI=1S/C15H16ClN3OS/c1-9(2)13-14(16)17-8-18-15(13)21-12-6-4-11(5-7-12)19-10(3)20/h4-9H,1-3H3,(H,19,20)
InChIKeyKBRZVEOZDCEUKC-UHFFFAOYSA-N
MW321.83 g/mol
LogP4.36
Rot. Bonds4

About N-[4-(6-chloro-5-propan-2-ylpyrimidin-4-yl)sulfanylphenyl]acetamide

N-[4-(6-chloro-5-propan-2-ylpyrimidin-4-yl)sulfanylphenyl]acetamide (PubChem CID 63731436) has the molecular formula C15H16ClN3OS and a molecular weight of 321.83 g/mol. Its IUPAC name is N-[4-(6-chloro-5-propan-2-ylpyrimidin-4-yl)sulfanylphenyl]acetamide.

Molecular Properties

Compound NameN-[4-(6-chloro-5-propan-2-ylpyrimidin-4-yl)sulfanylphenyl]acetamide
PubChem CID63731436
Molecular FormulaC15H16ClN3OS
Molecular Weight321.83 g/mol
Exact Mass321.07
IUPAC NameN-[4-(6-chloro-5-propan-2-ylpyrimidin-4-yl)sulfanylphenyl]acetamide
SMILESCC(=O)Nc1ccc(Sc2ncnc(Cl)c2C(C)C)cc1
InChIInChI=1S/C15H16ClN3OS/c1-9(2)13-14(16)17-8-18-15(13)21-12-6-4-11(5-7-12)19-10(3)20/h4-9H,1-3H3,(H,19,20)
InChIKeyKBRZVEOZDCEUKC-UHFFFAOYSA-N
XLogP4.36
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.83
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-6-phenylsulfanyl-5-propan-2-ylpyrimidine
CID 55229898
N-[4-[[6-[(1R)-1-aminoethyl]-3-pyridinyl]sulfanyl]phenyl]acetamide
CID 83123882
N-[4-(6-chloro-2-propan-2-ylpyrimidin-4-yl)sulfanylphenyl]acetamide
CID 80947124
N-[4-[(3-bromo-4-methyl-2-pyridinyl)sulfanyl]phenyl]acetamide
CID 106878206
N-[4-[[6-(4-methylphenyl)sulfanyl-5-nitropyrimidin-4-yl]amino]phenyl]acetamide
CID 22534268
4-tert-butylsulfanyl-6-chloro-5-propan-2-ylpyrimidine
CID 63728560
N-[4-(6-chloropyrazin-2-yl)sulfanylphenyl]acetamide
CID 43213387
N-[4-(5-aminopyrazin-2-yl)sulfanylphenyl]acetamide
CID 80664432
N-[4-[(4-amino-6-chloro-1,3,5-triazin-2-yl)sulfanyl]phenyl]acetamide
CID 80893591
methyl 2-(4-acetamidophenyl)sulfanyl-4-chloro-1,3-thiazole-5-carboxylate
CID 60844924
N-[4-[[6-[(1S)-1-aminopropyl]-3-pyridinyl]sulfanyl]phenyl]acetamide
CID 103938113
4-chloro-6-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-5-propan-2-ylpyrimidine
CID 102925184

Frequently Asked Questions

What is the IUPAC name of N-[4-(6-chloro-5-propan-2-ylpyrimidin-4-yl)sulfanylphenyl]acetamide?
The IUPAC name of N-[4-(6-chloro-5-propan-2-ylpyrimidin-4-yl)sulfanylphenyl]acetamide (CID 63731436) is N-[4-(6-chloro-5-propan-2-ylpyrimidin-4-yl)sulfanylphenyl]acetamide.
What is the SMILES notation for N-[4-(6-chloro-5-propan-2-ylpyrimidin-4-yl)sulfanylphenyl]acetamide?
The canonical SMILES for N-[4-(6-chloro-5-propan-2-ylpyrimidin-4-yl)sulfanylphenyl]acetamide is CC(=O)Nc1ccc(Sc2ncnc(Cl)c2C(C)C)cc1.
What is the InChIKey of N-[4-(6-chloro-5-propan-2-ylpyrimidin-4-yl)sulfanylphenyl]acetamide?
The InChIKey is KBRZVEOZDCEUKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN3OS/c1-9(2)13-14(16)17-8-18-15(13)21-12-6-4-11(5-7-12)19-10(3)20/h4-9H,1-3H3,(H,19,20).
What are the key properties of N-[4-(6-chloro-5-propan-2-ylpyrimidin-4-yl)sulfanylphenyl]acetamide?
N-[4-(6-chloro-5-propan-2-ylpyrimidin-4-yl)sulfanylphenyl]acetamide has a molecular weight of 321.83 g/mol, XLogP of 4.36, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(6-chloro-5-propan-2-ylpyrimidin-4-yl)sulfanylphenyl]acetamide is sourced from PubChem (CID 63731436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).