cis-(1R,2S)-2-[[6-(4-chlorophenyl)-2-pyridin-3-ylpyrimidin-4-yl]amino]cyclopentan-1-ol

C20H19ClN4O — CID 156865946

IUPACcis-(1R,2S)-2-[[6-(4-chlorophenyl)-2-pyridin-3-ylpyrimidin-4-yl]amino]cyclopentan-1-ol
SMILESO[C@@H]1CCC[C@@H]1Nc1cc(-c2ccc(Cl)cc2)nc(-c2cccnc2)n1
InChIInChI=1S/C20H19ClN4O/c21-15-8-6-13(7-9-15)17-11-19(23-16-4-1-5-18(16)26)25-20(24-17)14-3-2-10-22-12-14/h2-3,6-12,16,18,26H,1,4-5H2,(H,23,24,25)/t16-,18+/m0/s1
InChIKeyJYDFUVODIKKOOK-FUHWJXTLSA-N
MW366.85 g/mol
LogP4.18
Rot. Bonds4

About cis-(1R,2S)-2-[[6-(4-chlorophenyl)-2-pyridin-3-ylpyrimidin-4-yl]amino]cyclopentan-1-ol

cis-(1R,2S)-2-[[6-(4-chlorophenyl)-2-pyridin-3-ylpyrimidin-4-yl]amino]cyclopentan-1-ol (PubChem CID 156865946) has the molecular formula C20H19ClN4O and a molecular weight of 366.85 g/mol. Its IUPAC name is cis-(1R,2S)-2-[[6-(4-chlorophenyl)-2-pyridin-3-ylpyrimidin-4-yl]amino]cyclopentan-1-ol.

Molecular Properties

Compound Namecis-(1R,2S)-2-[[6-(4-chlorophenyl)-2-pyridin-3-ylpyrimidin-4-yl]amino]cyclopentan-1-ol
PubChem CID156865946
Molecular FormulaC20H19ClN4O
Molecular Weight366.85 g/mol
Exact Mass366.12
IUPAC Namecis-(1R,2S)-2-[[6-(4-chlorophenyl)-2-pyridin-3-ylpyrimidin-4-yl]amino]cyclopentan-1-ol
SMILESO[C@@H]1CCC[C@@H]1Nc1cc(-c2ccc(Cl)cc2)nc(-c2cccnc2)n1
InChIInChI=1S/C20H19ClN4O/c21-15-8-6-13(7-9-15)17-11-19(23-16-4-1-5-18(16)26)25-20(24-17)14-3-2-10-22-12-14/h2-3,6-12,16,18,26H,1,4-5H2,(H,23,24,25)/t16-,18+/m0/s1
InChIKeyJYDFUVODIKKOOK-FUHWJXTLSA-N
XLogP4.18
TPSA70.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.85
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze cis-(1R,2S)-2-[[6-(4-chlorophenyl)-2-pyridin-3-ylpyrimidin-4-yl]amino]cyclopentan-1-ol with MolForge

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Related Compounds

6-(4-chlorophenyl)-N-[(3R,4R)-3-fluoropiperidin-4-yl]-2-pyridin-3-ylpyrimidin-4-amine
CID 156866075
trans-(1S,2S)-2-[(2-pyridin-2-yl-6-pyridin-3-ylpyrimidin-4-yl)amino]cyclohexan-1-ol
CID 69183255
6-(4-chlorophenyl)-N-[(3S,4S)-4-methoxy-1-methylpyrrolidin-3-yl]-2-pyridin-3-ylpyrimidin-4-amine
CID 156866009
6-(4-chlorophenyl)-N-[1-(1-methylpiperidin-4-yl)ethyl]-2-pyridin-3-ylpyrimidin-4-amine
CID 156865932
(2R)-2-[[6-(4-chlorophenyl)-2-pyridin-3-ylpyrimidin-4-yl]amino]butan-1-ol
CID 156866263
1-[6-(4-chlorophenyl)-2-pyridin-3-ylpyrimidin-4-yl]azepan-3-ol
CID 156865963
N-cyclohexyl-2-phenyl-6-pyridin-3-ylpyrimidin-4-amine
CID 4157388
1-[6-(4-chlorophenyl)-2-pyridin-3-ylpyrimidin-4-yl]-N-methylpiperidin-3-amine
CID 175342252
methyl (2S)-1-[6-(4-chlorophenyl)-2-pyridin-3-ylpyrimidin-4-yl]pyrrolidine-2-carboxylate
CID 156866200
6-(4-chlorophenyl)-N-[(1R,2S)-2-hydroxycyclopentyl]-3-oxo-2-pyridin-3-ylpyridazine-4-carboxamide
CID 135303968
N-piperidin-3-yl-2-pyridin-3-yl-6-pyridin-4-ylpyrimidin-4-amine
CID 56768481
4-(4-chlorophenyl)-6-[4-(3,5-dichlorophenyl)piperazin-1-yl]-2-pyridin-3-ylpyrimidine
CID 175342188

Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-2-[[6-(4-chlorophenyl)-2-pyridin-3-ylpyrimidin-4-yl]amino]cyclopentan-1-ol?
The IUPAC name of cis-(1R,2S)-2-[[6-(4-chlorophenyl)-2-pyridin-3-ylpyrimidin-4-yl]amino]cyclopentan-1-ol (CID 156865946) is cis-(1R,2S)-2-[[6-(4-chlorophenyl)-2-pyridin-3-ylpyrimidin-4-yl]amino]cyclopentan-1-ol.
What is the SMILES notation for cis-(1R,2S)-2-[[6-(4-chlorophenyl)-2-pyridin-3-ylpyrimidin-4-yl]amino]cyclopentan-1-ol?
The canonical SMILES for cis-(1R,2S)-2-[[6-(4-chlorophenyl)-2-pyridin-3-ylpyrimidin-4-yl]amino]cyclopentan-1-ol is O[C@@H]1CCC[C@@H]1Nc1cc(-c2ccc(Cl)cc2)nc(-c2cccnc2)n1.
What is the InChIKey of cis-(1R,2S)-2-[[6-(4-chlorophenyl)-2-pyridin-3-ylpyrimidin-4-yl]amino]cyclopentan-1-ol?
The InChIKey is JYDFUVODIKKOOK-FUHWJXTLSA-N. The full InChI is InChI=1S/C20H19ClN4O/c21-15-8-6-13(7-9-15)17-11-19(23-16-4-1-5-18(16)26)25-20(24-17)14-3-2-10-22-12-14/h2-3,6-12,16,18,26H,1,4-5H2,(H,23,24,25)/t16-,18+/m0/s1.
What are the key properties of cis-(1R,2S)-2-[[6-(4-chlorophenyl)-2-pyridin-3-ylpyrimidin-4-yl]amino]cyclopentan-1-ol?
cis-(1R,2S)-2-[[6-(4-chlorophenyl)-2-pyridin-3-ylpyrimidin-4-yl]amino]cyclopentan-1-ol has a molecular weight of 366.85 g/mol, XLogP of 4.18, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2S)-2-[[6-(4-chlorophenyl)-2-pyridin-3-ylpyrimidin-4-yl]amino]cyclopentan-1-ol is sourced from PubChem (CID 156865946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).