N-[(2-chlorophenyl)methyl]-6-(4-methylpiperazin-1-yl)-2-phenylpyrimidin-4-amine

C22H24ClN5 — CID 112880933

IUPACN-[(2-chlorophenyl)methyl]-6-(4-methylpiperazin-1-yl)-2-phenylpyrimidin-4-amine
SMILESCN1CCN(c2cc(NCc3ccccc3Cl)nc(-c3ccccc3)n2)CC1
InChIInChI=1S/C22H24ClN5/c1-27-11-13-28(14-12-27)21-15-20(24-16-18-9-5-6-10-19(18)23)25-22(26-21)17-7-3-2-4-8-17/h2-10,15H,11-14,16H2,1H3,(H,24,25,26)
InChIKeyNRKSIDOAFCXHBW-UHFFFAOYSA-N
MW393.92 g/mol
LogP4.16
Rot. Bonds5

About N-[(2-chlorophenyl)methyl]-6-(4-methylpiperazin-1-yl)-2-phenylpyrimidin-4-amine

N-[(2-chlorophenyl)methyl]-6-(4-methylpiperazin-1-yl)-2-phenylpyrimidin-4-amine (PubChem CID 112880933) has the molecular formula C22H24ClN5 and a molecular weight of 393.92 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-6-(4-methylpiperazin-1-yl)-2-phenylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-6-(4-methylpiperazin-1-yl)-2-phenylpyrimidin-4-amine
PubChem CID112880933
Molecular FormulaC22H24ClN5
Molecular Weight393.92 g/mol
Exact Mass393.17
IUPAC NameN-[(2-chlorophenyl)methyl]-6-(4-methylpiperazin-1-yl)-2-phenylpyrimidin-4-amine
SMILESCN1CCN(c2cc(NCc3ccccc3Cl)nc(-c3ccccc3)n2)CC1
InChIInChI=1S/C22H24ClN5/c1-27-11-13-28(14-12-27)21-15-20(24-16-18-9-5-6-10-19(18)23)25-22(26-21)17-7-3-2-4-8-17/h2-10,15H,11-14,16H2,1H3,(H,24,25,26)
InChIKeyNRKSIDOAFCXHBW-UHFFFAOYSA-N
XLogP4.16
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.92
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-(4-methylpiperazin-1-yl)-2-phenyl-N-(pyridin-4-ylmethyl)pyrimidin-4-amine
CID 112880940
N-[(4-methoxyphenyl)methyl]-6-(4-methylpiperazin-1-yl)-2-phenylpyrimidin-4-amine
CID 112880936
N-[(2-fluorophenyl)methyl]-2-phenyl-6-pyrrolidin-1-ylpyrimidin-4-amine
CID 112879949
N-[(2-fluorophenyl)methyl]-2-phenyl-6-piperidin-1-ylpyrimidin-4-amine
CID 112880106
6-(4-methylpiperazin-1-yl)-N-(oxolan-2-ylmethyl)-2-phenylpyrimidin-4-amine
CID 112880607
N-[(2-methoxyphenyl)methyl]-6-morpholin-4-yl-2-phenylpyrimidin-4-amine
CID 112880506
N-(3,5-dimethylphenyl)-6-(4-methylpiperazin-1-yl)-2-phenylpyrimidin-4-amine
CID 112880969
6-(azepan-1-yl)-N-(2-methylpropyl)-2-phenylpyrimidin-4-amine
CID 112879821
6-(azepan-1-yl)-2-phenyl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine
CID 112881321
N-(2,5-dimethylphenyl)-6-(4-methylpiperazin-1-yl)-2-phenylpyrimidin-4-amine
CID 112880967
N-(furan-2-ylmethyl)-2-phenyl-6-piperidin-1-ylpyrimidin-4-amine
CID 112880103
6-N-[(2-chlorophenyl)methyl]-4-N-(5-methyl-1,2-oxazol-3-yl)-2-phenylpyrimidine-4,6-diamine
CID 112881275

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-6-(4-methylpiperazin-1-yl)-2-phenylpyrimidin-4-amine?
The IUPAC name of N-[(2-chlorophenyl)methyl]-6-(4-methylpiperazin-1-yl)-2-phenylpyrimidin-4-amine (CID 112880933) is N-[(2-chlorophenyl)methyl]-6-(4-methylpiperazin-1-yl)-2-phenylpyrimidin-4-amine.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-6-(4-methylpiperazin-1-yl)-2-phenylpyrimidin-4-amine?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-6-(4-methylpiperazin-1-yl)-2-phenylpyrimidin-4-amine is CN1CCN(c2cc(NCc3ccccc3Cl)nc(-c3ccccc3)n2)CC1.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-6-(4-methylpiperazin-1-yl)-2-phenylpyrimidin-4-amine?
The InChIKey is NRKSIDOAFCXHBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24ClN5/c1-27-11-13-28(14-12-27)21-15-20(24-16-18-9-5-6-10-19(18)23)25-22(26-21)17-7-3-2-4-8-17/h2-10,15H,11-14,16H2,1H3,(H,24,25,26).
What are the key properties of N-[(2-chlorophenyl)methyl]-6-(4-methylpiperazin-1-yl)-2-phenylpyrimidin-4-amine?
N-[(2-chlorophenyl)methyl]-6-(4-methylpiperazin-1-yl)-2-phenylpyrimidin-4-amine has a molecular weight of 393.92 g/mol, XLogP of 4.16, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-6-(4-methylpiperazin-1-yl)-2-phenylpyrimidin-4-amine is sourced from PubChem (CID 112880933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).