5-(4-chlorophenyl)-N-(1-methylpiperidin-4-yl)-2-pyridin-3-ylpyrimidin-4-amine

C21H22ClN5 — CID 175823724

IUPAC5-(4-chlorophenyl)-N-(1-methylpiperidin-4-yl)-2-pyridin-3-ylpyrimidin-4-amine
SMILESCN1CCC(Nc2nc(-c3cccnc3)ncc2-c2ccc(Cl)cc2)CC1
InChIInChI=1S/C21H22ClN5/c1-27-11-8-18(9-12-27)25-21-19(15-4-6-17(22)7-5-15)14-24-20(26-21)16-3-2-10-23-13-16/h2-7,10,13-14,18H,8-9,11-12H2,1H3,(H,24,25,26)
InChIKeyHZOLIZGTAFCDEY-UHFFFAOYSA-N
MW379.90 g/mol
LogP4.37
Rot. Bonds4

About 5-(4-chlorophenyl)-N-(1-methylpiperidin-4-yl)-2-pyridin-3-ylpyrimidin-4-amine

5-(4-chlorophenyl)-N-(1-methylpiperidin-4-yl)-2-pyridin-3-ylpyrimidin-4-amine (PubChem CID 175823724) has the molecular formula C21H22ClN5 and a molecular weight of 379.90 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-N-(1-methylpiperidin-4-yl)-2-pyridin-3-ylpyrimidin-4-amine.

Molecular Properties

Compound Name5-(4-chlorophenyl)-N-(1-methylpiperidin-4-yl)-2-pyridin-3-ylpyrimidin-4-amine
PubChem CID175823724
Molecular FormulaC21H22ClN5
Molecular Weight379.90 g/mol
Exact Mass379.16
IUPAC Name5-(4-chlorophenyl)-N-(1-methylpiperidin-4-yl)-2-pyridin-3-ylpyrimidin-4-amine
SMILESCN1CCC(Nc2nc(-c3cccnc3)ncc2-c2ccc(Cl)cc2)CC1
InChIInChI=1S/C21H22ClN5/c1-27-11-8-18(9-12-27)25-21-19(15-4-6-17(22)7-5-15)14-24-20(26-21)16-3-2-10-23-13-16/h2-7,10,13-14,18H,8-9,11-12H2,1H3,(H,24,25,26)
InChIKeyHZOLIZGTAFCDEY-UHFFFAOYSA-N
XLogP4.37
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.90
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(4-chlorophenyl)-N-[1-(1-methylpiperidin-4-yl)ethyl]-2-pyridin-3-ylpyrimidin-4-amine
CID 175823739
5-(4-chlorophenyl)-2-pyridin-3-yl-N-(2-pyrrolidin-1-ylethyl)pyrimidin-4-amine
CID 175823716
5-(4-chlorophenyl)-N-[(1-cyclohexylpiperidin-3-yl)methyl]-2-pyridin-3-ylpyrimidin-4-amine
CID 175823730
6-(4-chlorophenyl)-N-[1-(1-methylpiperidin-4-yl)ethyl]-2-pyridin-3-ylpyrimidin-4-amine
CID 156865932
1-[6-(4-chlorophenyl)-2-pyridin-3-ylpyrimidin-4-yl]-N-methylpiperidin-3-amine
CID 175342252
4-(4-chlorophenyl)-6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-2-pyridin-3-ylpyrimidine
CID 156865958
5-chloro-3-fluoro-N-(1-methylpiperidin-4-yl)pyridin-2-amine
CID 79728230
2-N-(1-methylpiperidin-4-yl)pyridine-2,3-diamine
CID 21050456
N-(1,1-dioxothian-4-yl)-5,6-dimethyl-2-pyridin-3-ylpyrimidin-4-amine
CID 167967042
N-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]-5,6-dimethyl-2-pyridin-3-ylpyrimidin-4-amine
CID 133358055
4-chloro-N-(1-methylpiperidin-4-yl)pyridin-3-amine
CID 83166896
6-(4-chlorophenyl)-N-[(3S,4S)-4-methoxy-1-methylpyrrolidin-3-yl]-2-pyridin-3-ylpyrimidin-4-amine
CID 156866009

Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-N-(1-methylpiperidin-4-yl)-2-pyridin-3-ylpyrimidin-4-amine?
The IUPAC name of 5-(4-chlorophenyl)-N-(1-methylpiperidin-4-yl)-2-pyridin-3-ylpyrimidin-4-amine (CID 175823724) is 5-(4-chlorophenyl)-N-(1-methylpiperidin-4-yl)-2-pyridin-3-ylpyrimidin-4-amine.
What is the SMILES notation for 5-(4-chlorophenyl)-N-(1-methylpiperidin-4-yl)-2-pyridin-3-ylpyrimidin-4-amine?
The canonical SMILES for 5-(4-chlorophenyl)-N-(1-methylpiperidin-4-yl)-2-pyridin-3-ylpyrimidin-4-amine is CN1CCC(Nc2nc(-c3cccnc3)ncc2-c2ccc(Cl)cc2)CC1.
What is the InChIKey of 5-(4-chlorophenyl)-N-(1-methylpiperidin-4-yl)-2-pyridin-3-ylpyrimidin-4-amine?
The InChIKey is HZOLIZGTAFCDEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22ClN5/c1-27-11-8-18(9-12-27)25-21-19(15-4-6-17(22)7-5-15)14-24-20(26-21)16-3-2-10-23-13-16/h2-7,10,13-14,18H,8-9,11-12H2,1H3,(H,24,25,26).
What are the key properties of 5-(4-chlorophenyl)-N-(1-methylpiperidin-4-yl)-2-pyridin-3-ylpyrimidin-4-amine?
5-(4-chlorophenyl)-N-(1-methylpiperidin-4-yl)-2-pyridin-3-ylpyrimidin-4-amine has a molecular weight of 379.90 g/mol, XLogP of 4.37, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-N-(1-methylpiperidin-4-yl)-2-pyridin-3-ylpyrimidin-4-amine is sourced from PubChem (CID 175823724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).