2-chloro-4-methyl-6-[4-(3-methylphenyl)piperazin-1-yl]pyrimidine

C16H19ClN4 — CID 62477783

IUPAC2-chloro-4-methyl-6-[4-(3-methylphenyl)piperazin-1-yl]pyrimidine
SMILESCc1cccc(N2CCN(c3cc(C)nc(Cl)n3)CC2)c1
InChIInChI=1S/C16H19ClN4/c1-12-4-3-5-14(10-12)20-6-8-21(9-7-20)15-11-13(2)18-16(17)19-15/h3-5,10-11H,6-9H2,1-2H3
InChIKeyNZXGBANYWFCDBT-UHFFFAOYSA-N
MW302.81 g/mol
LogP3.07
Rot. Bonds2

About 2-chloro-4-methyl-6-[4-(3-methylphenyl)piperazin-1-yl]pyrimidine

2-chloro-4-methyl-6-[4-(3-methylphenyl)piperazin-1-yl]pyrimidine (PubChem CID 62477783) has the molecular formula C16H19ClN4 and a molecular weight of 302.81 g/mol. Its IUPAC name is 2-chloro-4-methyl-6-[4-(3-methylphenyl)piperazin-1-yl]pyrimidine.

Molecular Properties

Compound Name2-chloro-4-methyl-6-[4-(3-methylphenyl)piperazin-1-yl]pyrimidine
PubChem CID62477783
Molecular FormulaC16H19ClN4
Molecular Weight302.81 g/mol
Exact Mass302.13
IUPAC Name2-chloro-4-methyl-6-[4-(3-methylphenyl)piperazin-1-yl]pyrimidine
SMILESCc1cccc(N2CCN(c3cc(C)nc(Cl)n3)CC2)c1
InChIInChI=1S/C16H19ClN4/c1-12-4-3-5-14(10-12)20-6-8-21(9-7-20)15-11-13(2)18-16(17)19-15/h3-5,10-11H,6-9H2,1-2H3
InChIKeyNZXGBANYWFCDBT-UHFFFAOYSA-N
XLogP3.07
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.81
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-6-[4-(3-methylphenyl)piperazin-1-yl]pyridin-4-amine
CID 104918819
N-(2,6-dimethylphenyl)-4-methyl-6-[4-(3-methylphenyl)piperazin-1-yl]pyrimidin-2-amine
CID 112923455
4-[4-(3-chlorophenyl)piperazin-1-yl]-6-methylpyrimidin-2-amine
CID 112724317
2-chloro-4-[4-(2-fluorophenyl)piperazin-1-yl]-6-methylpyrimidine
CID 62483420
6-[4-(3-methylphenyl)piperazin-1-yl]pyridine-2,3-diamine
CID 79827724
2-methyl-6-[4-(3-methylphenyl)piperazin-1-yl]pyridin-3-amine
CID 71683732
N-ethyl-4-methyl-6-[4-(3-methylphenyl)piperazin-1-yl]-N-phenylpyrimidin-2-amine
CID 112923459
1-(4,6-dimethyl-2-pyridinyl)-4-phenylpiperazine
CID 141329163
N-(3,4-difluorophenyl)-4-methyl-6-[4-(3-methylphenyl)piperazin-1-yl]pyrimidin-2-amine
CID 112923475
4-(2-chloro-6-methylpyrimidin-4-yl)-1,4-thiazinane 1-oxide
CID 62482400
2,4-dimethyl-6-(4-phenylpiperazin-1-yl)pyrimidine;hydrochloride
CID 16805641
4-[4-(3-chlorophenyl)piperazin-1-yl]-6-methyl-N-(4-methylphenyl)pyrimidin-2-amine
CID 112923615

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-methyl-6-[4-(3-methylphenyl)piperazin-1-yl]pyrimidine?
The IUPAC name of 2-chloro-4-methyl-6-[4-(3-methylphenyl)piperazin-1-yl]pyrimidine (CID 62477783) is 2-chloro-4-methyl-6-[4-(3-methylphenyl)piperazin-1-yl]pyrimidine.
What is the SMILES notation for 2-chloro-4-methyl-6-[4-(3-methylphenyl)piperazin-1-yl]pyrimidine?
The canonical SMILES for 2-chloro-4-methyl-6-[4-(3-methylphenyl)piperazin-1-yl]pyrimidine is Cc1cccc(N2CCN(c3cc(C)nc(Cl)n3)CC2)c1.
What is the InChIKey of 2-chloro-4-methyl-6-[4-(3-methylphenyl)piperazin-1-yl]pyrimidine?
The InChIKey is NZXGBANYWFCDBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN4/c1-12-4-3-5-14(10-12)20-6-8-21(9-7-20)15-11-13(2)18-16(17)19-15/h3-5,10-11H,6-9H2,1-2H3.
What are the key properties of 2-chloro-4-methyl-6-[4-(3-methylphenyl)piperazin-1-yl]pyrimidine?
2-chloro-4-methyl-6-[4-(3-methylphenyl)piperazin-1-yl]pyrimidine has a molecular weight of 302.81 g/mol, XLogP of 3.07, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-methyl-6-[4-(3-methylphenyl)piperazin-1-yl]pyrimidine is sourced from PubChem (CID 62477783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).