(2R)-2-(5-chlorothiophen-2-yl)-N-(4-methylpyrimidin-2-yl)propanamide

C12H12ClN3OS — CID 99842071

IUPAC(2R)-2-(5-chlorothiophen-2-yl)-N-(4-methylpyrimidin-2-yl)propanamide
SMILESCc1ccnc(NC(=O)[C@@H](C)c2ccc(Cl)s2)n1
InChIInChI=1S/C12H12ClN3OS/c1-7-5-6-14-12(15-7)16-11(17)8(2)9-3-4-10(13)18-9/h3-6,8H,1-2H3,(H,14,15,16,17)/t8-/m0/s1
InChIKeyFDVMTOFSLUJMMG-QMMMGPOBSA-N
MW281.77 g/mol
LogP3.24
Rot. Bonds3

About (2R)-2-(5-chlorothiophen-2-yl)-N-(4-methylpyrimidin-2-yl)propanamide

(2R)-2-(5-chlorothiophen-2-yl)-N-(4-methylpyrimidin-2-yl)propanamide (PubChem CID 99842071) has the molecular formula C12H12ClN3OS and a molecular weight of 281.77 g/mol. Its IUPAC name is (2R)-2-(5-chlorothiophen-2-yl)-N-(4-methylpyrimidin-2-yl)propanamide.

Molecular Properties

Compound Name(2R)-2-(5-chlorothiophen-2-yl)-N-(4-methylpyrimidin-2-yl)propanamide
PubChem CID99842071
Molecular FormulaC12H12ClN3OS
Molecular Weight281.77 g/mol
Exact Mass281.04
IUPAC Name(2R)-2-(5-chlorothiophen-2-yl)-N-(4-methylpyrimidin-2-yl)propanamide
SMILESCc1ccnc(NC(=O)[C@@H](C)c2ccc(Cl)s2)n1
InChIInChI=1S/C12H12ClN3OS/c1-7-5-6-14-12(15-7)16-11(17)8(2)9-3-4-10(13)18-9/h3-6,8H,1-2H3,(H,14,15,16,17)/t8-/m0/s1
InChIKeyFDVMTOFSLUJMMG-QMMMGPOBSA-N
XLogP3.24
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.77
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(2-methylpropyl)phenyl]-N-(4-methylpyrimidin-2-yl)propanamide
CID 3627237
N-(3-aminopropyl)-2-(5-chlorothiophen-2-yl)propanamide
CID 119405790
N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-2-(5-chlorothiophen-2-yl)propanamide
CID 75376897
(2R)-2,4-dimethyl-N-(4-methylpyrimidin-2-yl)pent-4-enamide
CID 99842138
2-[(4-methylpyrimidin-2-yl)amino]propanamide
CID 62959080
(2S)-2-(2,4-dichlorophenoxy)-N-(4-methylpyrimidin-2-yl)propanamide
CID 1094229
N-(5-methyl-1,2,4-thiadiazol-3-yl)-2-(5-methylthiophen-2-yl)propanamide
CID 166310822
N-(2-amino-2-ethylbutyl)-2-(5-chlorothiophen-2-yl)propanamide;hydrochloride
CID 119640650
methyl (2S)-2-[[(2S)-2-(5-chlorothiophen-2-yl)propanoyl]amino]butanoate
CID 97008635
2-(5-chlorothiophen-2-yl)-N-methylpropanehydrazide
CID 116845748
(5-chlorothiophen-2-yl)-(2-methylpyrimidin-4-yl)methanol
CID 115527974
(2S)-2-(5-chlorothiophen-2-yl)-N-[2-oxo-2-(1H-pyrazol-4-ylamino)ethyl]propanamide
CID 97221772

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(5-chlorothiophen-2-yl)-N-(4-methylpyrimidin-2-yl)propanamide?
The IUPAC name of (2R)-2-(5-chlorothiophen-2-yl)-N-(4-methylpyrimidin-2-yl)propanamide (CID 99842071) is (2R)-2-(5-chlorothiophen-2-yl)-N-(4-methylpyrimidin-2-yl)propanamide.
What is the SMILES notation for (2R)-2-(5-chlorothiophen-2-yl)-N-(4-methylpyrimidin-2-yl)propanamide?
The canonical SMILES for (2R)-2-(5-chlorothiophen-2-yl)-N-(4-methylpyrimidin-2-yl)propanamide is Cc1ccnc(NC(=O)[C@@H](C)c2ccc(Cl)s2)n1.
What is the InChIKey of (2R)-2-(5-chlorothiophen-2-yl)-N-(4-methylpyrimidin-2-yl)propanamide?
The InChIKey is FDVMTOFSLUJMMG-QMMMGPOBSA-N. The full InChI is InChI=1S/C12H12ClN3OS/c1-7-5-6-14-12(15-7)16-11(17)8(2)9-3-4-10(13)18-9/h3-6,8H,1-2H3,(H,14,15,16,17)/t8-/m0/s1.
What are the key properties of (2R)-2-(5-chlorothiophen-2-yl)-N-(4-methylpyrimidin-2-yl)propanamide?
(2R)-2-(5-chlorothiophen-2-yl)-N-(4-methylpyrimidin-2-yl)propanamide has a molecular weight of 281.77 g/mol, XLogP of 3.24, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(5-chlorothiophen-2-yl)-N-(4-methylpyrimidin-2-yl)propanamide is sourced from PubChem (CID 99842071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).