[6-(4-chlorophenyl)-2-pyrrolidin-1-ylpyrimidin-4-yl]methanamine;hydrochloride

C15H18Cl2N4 — CID 82022749

IUPAC[6-(4-chlorophenyl)-2-pyrrolidin-1-ylpyrimidin-4-yl]methanamine;hydrochloride
SMILESCl.NCc1cc(-c2ccc(Cl)cc2)nc(N2CCCC2)n1
InChIInChI=1S/C15H17ClN4.ClH/c16-12-5-3-11(4-6-12)14-9-13(10-17)18-15(19-14)20-7-1-2-8-20;/h3-6,9H,1-2,7-8,10,17H2;1H
InChIKeyZUIAXROTASIUKD-UHFFFAOYSA-N
MW325.24 g/mol
LogP3.28
Rot. Bonds3

About [6-(4-chlorophenyl)-2-pyrrolidin-1-ylpyrimidin-4-yl]methanamine;hydrochloride

[6-(4-chlorophenyl)-2-pyrrolidin-1-ylpyrimidin-4-yl]methanamine;hydrochloride (PubChem CID 82022749) has the molecular formula C15H18Cl2N4 and a molecular weight of 325.24 g/mol. Its IUPAC name is [6-(4-chlorophenyl)-2-pyrrolidin-1-ylpyrimidin-4-yl]methanamine;hydrochloride.

Molecular Properties

Compound Name[6-(4-chlorophenyl)-2-pyrrolidin-1-ylpyrimidin-4-yl]methanamine;hydrochloride
PubChem CID82022749
Molecular FormulaC15H18Cl2N4
Molecular Weight325.24 g/mol
Exact Mass324.09
IUPAC Name[6-(4-chlorophenyl)-2-pyrrolidin-1-ylpyrimidin-4-yl]methanamine;hydrochloride
SMILESCl.NCc1cc(-c2ccc(Cl)cc2)nc(N2CCCC2)n1
InChIInChI=1S/C15H17ClN4.ClH/c16-12-5-3-11(4-6-12)14-9-13(10-17)18-15(19-14)20-7-1-2-8-20;/h3-6,9H,1-2,7-8,10,17H2;1H
InChIKeyZUIAXROTASIUKD-UHFFFAOYSA-N
XLogP3.28
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.24
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(azepan-1-yl)-6-(4-fluorophenyl)pyrimidin-4-yl]methanamine
CID 28904578
[6-(4-fluorophenyl)-2-morpholin-4-ylpyrimidin-4-yl]methanamine;hydrochloride
CID 82022744
[6-(4-methylphenyl)-2-(4-methylpiperidin-1-yl)pyrimidin-4-yl]methanamine
CID 28904443
[2-(azocan-1-yl)-6-methylpyrimidin-4-yl]methanamine
CID 107541533
2-(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)ethanamine;hydrochloride
CID 82022940
[6-(4-methylphenyl)-2-pyrrolidin-1-ylpyrimidin-4-yl]hydrazine
CID 94672776
2-(azepan-1-yl)-4-(4-chlorophenyl)imidazol-1-amine
CID 15158198
4-(4-chlorophenyl)-6-(cyclobutylmethyl)pyrimidin-2-amine
CID 158538764
[6-(1,3-benzodioxol-5-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-yl]methanamine
CID 68758964
[2-(azepan-1-yl)-5-chlorophenyl]methanamine
CID 62493124
1-[4-(4-chlorophenyl)pyrimidin-2-yl]piperidin-4-amine
CID 103278648
[2-[4-(2-fluorophenyl)piperazin-1-yl]-6-[3-(trifluoromethoxy)phenyl]pyrimidin-4-yl]methanamine
CID 68758459

Frequently Asked Questions

What is the IUPAC name of [6-(4-chlorophenyl)-2-pyrrolidin-1-ylpyrimidin-4-yl]methanamine;hydrochloride?
The IUPAC name of [6-(4-chlorophenyl)-2-pyrrolidin-1-ylpyrimidin-4-yl]methanamine;hydrochloride (CID 82022749) is [6-(4-chlorophenyl)-2-pyrrolidin-1-ylpyrimidin-4-yl]methanamine;hydrochloride.
What is the SMILES notation for [6-(4-chlorophenyl)-2-pyrrolidin-1-ylpyrimidin-4-yl]methanamine;hydrochloride?
The canonical SMILES for [6-(4-chlorophenyl)-2-pyrrolidin-1-ylpyrimidin-4-yl]methanamine;hydrochloride is Cl.NCc1cc(-c2ccc(Cl)cc2)nc(N2CCCC2)n1.
What is the InChIKey of [6-(4-chlorophenyl)-2-pyrrolidin-1-ylpyrimidin-4-yl]methanamine;hydrochloride?
The InChIKey is ZUIAXROTASIUKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN4.ClH/c16-12-5-3-11(4-6-12)14-9-13(10-17)18-15(19-14)20-7-1-2-8-20;/h3-6,9H,1-2,7-8,10,17H2;1H.
What are the key properties of [6-(4-chlorophenyl)-2-pyrrolidin-1-ylpyrimidin-4-yl]methanamine;hydrochloride?
[6-(4-chlorophenyl)-2-pyrrolidin-1-ylpyrimidin-4-yl]methanamine;hydrochloride has a molecular weight of 325.24 g/mol, XLogP of 3.28, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(4-chlorophenyl)-2-pyrrolidin-1-ylpyrimidin-4-yl]methanamine;hydrochloride is sourced from PubChem (CID 82022749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).