N-(2-chlorophenyl)-4-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-2-amine

C18H18ClN7 — CID 112898936

IUPACN-(2-chlorophenyl)-4-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-2-amine
SMILESClc1ccccc1Nc1nccc(N2CCN(c3ncccn3)CC2)n1
InChIInChI=1S/C18H18ClN7/c19-14-4-1-2-5-15(14)23-17-20-9-6-16(24-17)25-10-12-26(13-11-25)18-21-7-3-8-22-18/h1-9H,10-13H2,(H,20,23,24)
InChIKeyLCSRIEAEPZXRHM-UHFFFAOYSA-N
MW367.84 g/mol
LogP2.99
Rot. Bonds4

About N-(2-chlorophenyl)-4-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-2-amine

N-(2-chlorophenyl)-4-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-2-amine (PubChem CID 112898936) has the molecular formula C18H18ClN7 and a molecular weight of 367.84 g/mol. Its IUPAC name is N-(2-chlorophenyl)-4-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-(2-chlorophenyl)-4-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-2-amine
PubChem CID112898936
Molecular FormulaC18H18ClN7
Molecular Weight367.84 g/mol
Exact Mass367.13
IUPAC NameN-(2-chlorophenyl)-4-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-2-amine
SMILESClc1ccccc1Nc1nccc(N2CCN(c3ncccn3)CC2)n1
InChIInChI=1S/C18H18ClN7/c19-14-4-1-2-5-15(14)23-17-20-9-6-16(24-17)25-10-12-26(13-11-25)18-21-7-3-8-22-18/h1-9H,10-13H2,(H,20,23,24)
InChIKeyLCSRIEAEPZXRHM-UHFFFAOYSA-N
XLogP2.99
TPSA70.07 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.84
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-[2-(2-chloroanilino)pyrimidin-4-yl]piperidine-4-carboxylic acid
CID 113194000
ethyl 4-[2-(2-chloroanilino)pyrimidin-4-yl]piperazine-1-carboxylate
CID 112897922
N-(5-chloro-2-methoxyphenyl)-4-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-2-amine
CID 112898946
N-(2-bromophenyl)-4-piperidin-1-ylpyrimidin-2-amine
CID 112884584
N-(3-fluorophenyl)-4-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-2-amine
CID 112898966
N-(2,5-dichlorophenyl)-4-(4-methylpiperazin-1-yl)pyrimidin-2-amine
CID 112888061
N-(2-methoxyphenyl)-4-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-2-amine
CID 112898785
N-phenyl-4-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-2-amine
CID 112898748
1-[4-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-2-yl]azepane
CID 112898909
N-(2-phenoxyphenyl)-4-pyrrolidin-1-ylpyrimidin-2-amine
CID 112883965
N-(2-propan-2-yloxyphenyl)-4-pyrrolidin-1-ylpyrimidin-2-amine
CID 112883925
4-[2-(2-bromoanilino)pyrimidin-4-yl]piperazine-1-carbaldehyde
CID 112888642

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-4-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-2-amine?
The IUPAC name of N-(2-chlorophenyl)-4-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-2-amine (CID 112898936) is N-(2-chlorophenyl)-4-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-2-amine.
What is the SMILES notation for N-(2-chlorophenyl)-4-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-2-amine?
The canonical SMILES for N-(2-chlorophenyl)-4-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-2-amine is Clc1ccccc1Nc1nccc(N2CCN(c3ncccn3)CC2)n1.
What is the InChIKey of N-(2-chlorophenyl)-4-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-2-amine?
The InChIKey is LCSRIEAEPZXRHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClN7/c19-14-4-1-2-5-15(14)23-17-20-9-6-16(24-17)25-10-12-26(13-11-25)18-21-7-3-8-22-18/h1-9H,10-13H2,(H,20,23,24).
What are the key properties of N-(2-chlorophenyl)-4-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-2-amine?
N-(2-chlorophenyl)-4-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-2-amine has a molecular weight of 367.84 g/mol, XLogP of 2.99, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-4-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-2-amine is sourced from PubChem (CID 112898936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).