5-chloro-N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2-methylsulfanylpyrimidine-4-carboxamide

C16H19ClN4O2S — CID 35576839

IUPAC5-chloro-N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2-methylsulfanylpyrimidine-4-carboxamide
SMILESCSc1ncc(Cl)c(C(=O)NC[C@@H](c2ccco2)N2CCCC2)n1
InChIInChI=1S/C16H19ClN4O2S/c1-24-16-19-9-11(17)14(20-16)15(22)18-10-12(13-5-4-8-23-13)21-6-2-3-7-21/h4-5,8-9,12H,2-3,6-7,10H2,1H3,(H,18,22)/t12-/m0/s1
InChIKeyJQZLVBXBMQZZPG-LBPRGKRZSA-N
MW366.87 g/mol
LogP3.01
Rot. Bonds6

About 5-chloro-N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2-methylsulfanylpyrimidine-4-carboxamide

5-chloro-N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2-methylsulfanylpyrimidine-4-carboxamide (PubChem CID 35576839) has the molecular formula C16H19ClN4O2S and a molecular weight of 366.87 g/mol. Its IUPAC name is 5-chloro-N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2-methylsulfanylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2-methylsulfanylpyrimidine-4-carboxamide
PubChem CID35576839
Molecular FormulaC16H19ClN4O2S
Molecular Weight366.87 g/mol
Exact Mass366.09
IUPAC Name5-chloro-N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2-methylsulfanylpyrimidine-4-carboxamide
SMILESCSc1ncc(Cl)c(C(=O)NC[C@@H](c2ccco2)N2CCCC2)n1
InChIInChI=1S/C16H19ClN4O2S/c1-24-16-19-9-11(17)14(20-16)15(22)18-10-12(13-5-4-8-23-13)21-6-2-3-7-21/h4-5,8-9,12H,2-3,6-7,10H2,1H3,(H,18,22)/t12-/m0/s1
InChIKeyJQZLVBXBMQZZPG-LBPRGKRZSA-N
XLogP3.01
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.87
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-chloro-N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2-methylsulfanylpyrimidine-4-carboxamide with MolForge

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Related Compounds

5-chloro-N-[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-2-methylsulfanylpyrimidine-4-carboxamide
CID 35574949
N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-2-methylsulfanylbenzamide
CID 2456837
N-[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-5-methylpyrazine-2-carboxamide
CID 2453107
3,4-dichloro-N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]benzamide
CID 7972696
5-chloro-N-(furan-2-ylmethyl)-2-methylsulfanylpyrimidine-4-carboxamide
CID 6463310
N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-4-methyl-6-methylsulfanyl-2-propan-2-ylpyrimidine-5-carboxamide
CID 78847828
N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]quinoxaline-2-carboxamide
CID 18152829
4-chloro-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]benzamide
CID 4877480
N-[2-(azepan-1-yl)-2-(furan-2-yl)ethyl]-2,4-dichlorobenzamide
CID 112503384
2,4-dichloro-N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]benzamide
CID 18161350
N-[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-5-methyl-2-phenyltriazole-4-carboxamide
CID 26892299
N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-5-methyl-2-phenyltriazole-4-carboxamide
CID 26892301

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2-methylsulfanylpyrimidine-4-carboxamide?
The IUPAC name of 5-chloro-N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2-methylsulfanylpyrimidine-4-carboxamide (CID 35576839) is 5-chloro-N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2-methylsulfanylpyrimidine-4-carboxamide.
What is the SMILES notation for 5-chloro-N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2-methylsulfanylpyrimidine-4-carboxamide?
The canonical SMILES for 5-chloro-N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2-methylsulfanylpyrimidine-4-carboxamide is CSc1ncc(Cl)c(C(=O)NC[C@@H](c2ccco2)N2CCCC2)n1.
What is the InChIKey of 5-chloro-N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2-methylsulfanylpyrimidine-4-carboxamide?
The InChIKey is JQZLVBXBMQZZPG-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H19ClN4O2S/c1-24-16-19-9-11(17)14(20-16)15(22)18-10-12(13-5-4-8-23-13)21-6-2-3-7-21/h4-5,8-9,12H,2-3,6-7,10H2,1H3,(H,18,22)/t12-/m0/s1.
What are the key properties of 5-chloro-N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2-methylsulfanylpyrimidine-4-carboxamide?
5-chloro-N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2-methylsulfanylpyrimidine-4-carboxamide has a molecular weight of 366.87 g/mol, XLogP of 3.01, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2-methylsulfanylpyrimidine-4-carboxamide is sourced from PubChem (CID 35576839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).