N-(3-chlorophenyl)-4-[4-(3-methylphenyl)piperazin-1-yl]pyrimidin-2-amine

C21H22ClN5 — CID 112898122

IUPACN-(3-chlorophenyl)-4-[4-(3-methylphenyl)piperazin-1-yl]pyrimidin-2-amine
SMILESCc1cccc(N2CCN(c3ccnc(Nc4cccc(Cl)c4)n3)CC2)c1
InChIInChI=1S/C21H22ClN5/c1-16-4-2-7-19(14-16)26-10-12-27(13-11-26)20-8-9-23-21(25-20)24-18-6-3-5-17(22)15-18/h2-9,14-15H,10-13H2,1H3,(H,23,24,25)
InChIKeyBEYAYZLCUFJQCW-UHFFFAOYSA-N
MW379.90 g/mol
LogP4.51
Rot. Bonds4

About N-(3-chlorophenyl)-4-[4-(3-methylphenyl)piperazin-1-yl]pyrimidin-2-amine

N-(3-chlorophenyl)-4-[4-(3-methylphenyl)piperazin-1-yl]pyrimidin-2-amine (PubChem CID 112898122) has the molecular formula C21H22ClN5 and a molecular weight of 379.90 g/mol. Its IUPAC name is N-(3-chlorophenyl)-4-[4-(3-methylphenyl)piperazin-1-yl]pyrimidin-2-amine.

Molecular Properties

Compound NameN-(3-chlorophenyl)-4-[4-(3-methylphenyl)piperazin-1-yl]pyrimidin-2-amine
PubChem CID112898122
Molecular FormulaC21H22ClN5
Molecular Weight379.90 g/mol
Exact Mass379.16
IUPAC NameN-(3-chlorophenyl)-4-[4-(3-methylphenyl)piperazin-1-yl]pyrimidin-2-amine
SMILESCc1cccc(N2CCN(c3ccnc(Nc4cccc(Cl)c4)n3)CC2)c1
InChIInChI=1S/C21H22ClN5/c1-16-4-2-7-19(14-16)26-10-12-27(13-11-26)20-8-9-23-21(25-20)24-18-6-3-5-17(22)15-18/h2-9,14-15H,10-13H2,1H3,(H,23,24,25)
InChIKeyBEYAYZLCUFJQCW-UHFFFAOYSA-N
XLogP4.51
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 ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[4-[4-(3-methylphenyl)piperazin-1-yl]pyrimidin-2-yl]amino]benzonitrile
CID 112898145
N-[4-[4-(3-chlorophenyl)piperazin-1-yl]pyrimidin-2-yl]-5-methyl-1,2-oxazol-3-amine
CID 112898397
4-(4-ethylpiperazin-1-yl)-N-(3-methylphenyl)pyrimidin-2-amine
CID 112888269
N-(3-chloro-4-methylphenyl)-4-(4-phenylpiperazin-1-yl)pyrimidin-2-amine
CID 112896430
N-(3-chloro-4-fluorophenyl)-4-(4-phenylpiperazin-1-yl)pyrimidin-2-amine
CID 112896431
N-(3-methylphenyl)-5-[4-(3-methylphenyl)piperazin-1-yl]-1,2,4-triazin-3-amine
CID 112957221
4-[4-(3-chlorophenyl)piperazin-1-yl]-6-methyl-N-(4-methylphenyl)pyrimidin-2-amine
CID 112923615
4-[4-(3-chlorophenyl)piperazin-1-yl]-N-(1-phenylethyl)pyrimidin-2-amine
CID 112890706
4-[4-(3-chlorophenyl)piperazin-1-yl]-N-(3-methylbutyl)pyrimidin-2-amine
CID 112898366
(2-anilinopyrimidin-4-yl)-[4-(3-methylphenyl)piperazin-1-yl]methanone
CID 109310370
4-[4-(3-methylphenyl)piperazin-1-yl]-N-(2-morpholin-4-ylethyl)pyrimidin-2-amine
CID 112887479
N-(3,4-difluorophenyl)-4-methyl-6-[4-(3-methylphenyl)piperazin-1-yl]pyrimidin-2-amine
CID 112923475

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-4-[4-(3-methylphenyl)piperazin-1-yl]pyrimidin-2-amine?
The IUPAC name of N-(3-chlorophenyl)-4-[4-(3-methylphenyl)piperazin-1-yl]pyrimidin-2-amine (CID 112898122) is N-(3-chlorophenyl)-4-[4-(3-methylphenyl)piperazin-1-yl]pyrimidin-2-amine.
What is the SMILES notation for N-(3-chlorophenyl)-4-[4-(3-methylphenyl)piperazin-1-yl]pyrimidin-2-amine?
The canonical SMILES for N-(3-chlorophenyl)-4-[4-(3-methylphenyl)piperazin-1-yl]pyrimidin-2-amine is Cc1cccc(N2CCN(c3ccnc(Nc4cccc(Cl)c4)n3)CC2)c1.
What is the InChIKey of N-(3-chlorophenyl)-4-[4-(3-methylphenyl)piperazin-1-yl]pyrimidin-2-amine?
The InChIKey is BEYAYZLCUFJQCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22ClN5/c1-16-4-2-7-19(14-16)26-10-12-27(13-11-26)20-8-9-23-21(25-20)24-18-6-3-5-17(22)15-18/h2-9,14-15H,10-13H2,1H3,(H,23,24,25).
What are the key properties of N-(3-chlorophenyl)-4-[4-(3-methylphenyl)piperazin-1-yl]pyrimidin-2-amine?
N-(3-chlorophenyl)-4-[4-(3-methylphenyl)piperazin-1-yl]pyrimidin-2-amine has a molecular weight of 379.90 g/mol, XLogP of 4.51, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-4-[4-(3-methylphenyl)piperazin-1-yl]pyrimidin-2-amine is sourced from PubChem (CID 112898122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).