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

C21H22ClN5 — CID 112936397

IUPACN-(2-chlorophenyl)-2-(4-methylpiperazin-1-yl)-6-phenylpyrimidin-4-amine
SMILESCN1CCN(c2nc(Nc3ccccc3Cl)cc(-c3ccccc3)n2)CC1
InChIInChI=1S/C21H22ClN5/c1-26-11-13-27(14-12-26)21-24-19(16-7-3-2-4-8-16)15-20(25-21)23-18-10-6-5-9-17(18)22/h2-10,15H,11-14H2,1H3,(H,23,24,25)
InChIKeyRSEYEYIFLVOFEU-UHFFFAOYSA-N
MW379.90 g/mol
LogP4.29
Rot. Bonds4

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

N-(2-chlorophenyl)-2-(4-methylpiperazin-1-yl)-6-phenylpyrimidin-4-amine (PubChem CID 112936397) has the molecular formula C21H22ClN5 and a molecular weight of 379.90 g/mol. Its IUPAC name is N-(2-chlorophenyl)-2-(4-methylpiperazin-1-yl)-6-phenylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(2-chlorophenyl)-2-(4-methylpiperazin-1-yl)-6-phenylpyrimidin-4-amine
PubChem CID112936397
Molecular FormulaC21H22ClN5
Molecular Weight379.90 g/mol
Exact Mass379.16
IUPAC NameN-(2-chlorophenyl)-2-(4-methylpiperazin-1-yl)-6-phenylpyrimidin-4-amine
SMILESCN1CCN(c2nc(Nc3ccccc3Cl)cc(-c3ccccc3)n2)CC1
InChIInChI=1S/C21H22ClN5/c1-26-11-13-27(14-12-26)21-24-19(16-7-3-2-4-8-16)15-20(25-21)23-18-10-6-5-9-17(18)22/h2-10,15H,11-14H2,1H3,(H,23,24,25)
InChIKeyRSEYEYIFLVOFEU-UHFFFAOYSA-N
XLogP4.29
TPSA44.29 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 ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-chlorophenyl)-2-(4-methylpiperazin-1-yl)-6-phenylpyrimidin-4-amine
CID 112936399
N-(2,4-difluorophenyl)-2-(4-methylpiperazin-1-yl)-6-phenylpyrimidin-4-amine
CID 112936417
N-cyclopropyl-2-(4-methylpiperazin-1-yl)-6-phenylpyrimidin-4-amine
CID 112932936
N-benzyl-2-(4-methylpiperazin-1-yl)-6-phenylpyrimidin-4-amine
CID 112936341
N-(2,3-dichlorophenyl)-6-methyl-2-(4-methylpiperazin-1-yl)pyrimidin-4-amine
CID 112914114
N-(3-methylbutyl)-2-(4-methylpiperazin-1-yl)-6-phenylpyrimidin-4-amine
CID 112936368
N-(2-methylphenyl)-2-morpholin-4-yl-6-phenylpyrimidin-4-amine
CID 112935530
2-[(6-phenyl-2-piperidin-1-ylpyrimidin-4-yl)amino]benzonitrile
CID 112934646
N-methyl-6-phenyl-2-pyrrolidin-1-ylpyrimidin-4-amine
CID 62192650
N-(2-methoxyphenyl)-2-morpholin-4-yl-6-phenylpyrimidin-4-amine
CID 112935565
2-(4-methylpiperazin-1-yl)-6-phenyl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine
CID 112936354
2-(4-methylpiperazin-1-yl)-6-phenyl-N-(pyridin-3-ylmethyl)pyrimidin-4-amine
CID 112936355

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-2-(4-methylpiperazin-1-yl)-6-phenylpyrimidin-4-amine?
The IUPAC name of N-(2-chlorophenyl)-2-(4-methylpiperazin-1-yl)-6-phenylpyrimidin-4-amine (CID 112936397) is N-(2-chlorophenyl)-2-(4-methylpiperazin-1-yl)-6-phenylpyrimidin-4-amine.
What is the SMILES notation for N-(2-chlorophenyl)-2-(4-methylpiperazin-1-yl)-6-phenylpyrimidin-4-amine?
The canonical SMILES for N-(2-chlorophenyl)-2-(4-methylpiperazin-1-yl)-6-phenylpyrimidin-4-amine is CN1CCN(c2nc(Nc3ccccc3Cl)cc(-c3ccccc3)n2)CC1.
What is the InChIKey of N-(2-chlorophenyl)-2-(4-methylpiperazin-1-yl)-6-phenylpyrimidin-4-amine?
The InChIKey is RSEYEYIFLVOFEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22ClN5/c1-26-11-13-27(14-12-26)21-24-19(16-7-3-2-4-8-16)15-20(25-21)23-18-10-6-5-9-17(18)22/h2-10,15H,11-14H2,1H3,(H,23,24,25).
What are the key properties of N-(2-chlorophenyl)-2-(4-methylpiperazin-1-yl)-6-phenylpyrimidin-4-amine?
N-(2-chlorophenyl)-2-(4-methylpiperazin-1-yl)-6-phenylpyrimidin-4-amine has a molecular weight of 379.90 g/mol, XLogP of 4.29, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-2-(4-methylpiperazin-1-yl)-6-phenylpyrimidin-4-amine is sourced from PubChem (CID 112936397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).