4-chloro-6-[4-(3-methoxyphenyl)piperazin-1-yl]-2-methylpyrimidine

C16H19ClN4O — CID 133282077

IUPAC4-chloro-6-[4-(3-methoxyphenyl)piperazin-1-yl]-2-methylpyrimidine
SMILESCOc1cccc(N2CCN(c3cc(Cl)nc(C)n3)CC2)c1
InChIInChI=1S/C16H19ClN4O/c1-12-18-15(17)11-16(19-12)21-8-6-20(7-9-21)13-4-3-5-14(10-13)22-2/h3-5,10-11H,6-9H2,1-2H3
InChIKeySHIYSLQRFFVOLI-UHFFFAOYSA-N
MW318.81 g/mol
LogP2.77
Rot. Bonds3

About 4-chloro-6-[4-(3-methoxyphenyl)piperazin-1-yl]-2-methylpyrimidine

4-chloro-6-[4-(3-methoxyphenyl)piperazin-1-yl]-2-methylpyrimidine (PubChem CID 133282077) has the molecular formula C16H19ClN4O and a molecular weight of 318.81 g/mol. Its IUPAC name is 4-chloro-6-[4-(3-methoxyphenyl)piperazin-1-yl]-2-methylpyrimidine.

Molecular Properties

Compound Name4-chloro-6-[4-(3-methoxyphenyl)piperazin-1-yl]-2-methylpyrimidine
PubChem CID133282077
Molecular FormulaC16H19ClN4O
Molecular Weight318.81 g/mol
Exact Mass318.12
IUPAC Name4-chloro-6-[4-(3-methoxyphenyl)piperazin-1-yl]-2-methylpyrimidine
SMILESCOc1cccc(N2CCN(c3cc(Cl)nc(C)n3)CC2)c1
InChIInChI=1S/C16H19ClN4O/c1-12-18-15(17)11-16(19-12)21-8-6-20(7-9-21)13-4-3-5-14(10-13)22-2/h3-5,10-11H,6-9H2,1-2H3
InChIKeySHIYSLQRFFVOLI-UHFFFAOYSA-N
XLogP2.77
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.81
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-methoxyphenyl)-2-methyl-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine
CID 112874751
1-iodo-4-(3-methoxyphenyl)piperazine
CID 142256394
1-(3-methoxyphenyl)azepane
CID 57276431
1-(6-chloro-2-methylpyrimidin-4-yl)azepane
CID 62480915
2,4-dimethyl-6-(4-phenylpiperazin-1-yl)pyrimidine;hydrochloride
CID 16805641
4-[4-(3-bromophenyl)piperazin-1-yl]-2,6-dimethylpyrimidine
CID 163356432
3-chloro-4-[4-(3-methoxyphenyl)piperazin-1-yl]-1,2,5-thiadiazole
CID 43808214
2-chloro-6-[4-(3-methylphenyl)piperazin-1-yl]pyridin-4-amine
CID 104918819
2-[4-(3-chlorophenyl)piperazin-1-yl]-7-methoxy-4-methylquinolin-5-ol
CID 143106876
N-[(4-methoxyphenyl)methyl]-2-methyl-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine
CID 112872910
1-(2-chloroethenyl)-4-(3-methoxyphenyl)piperazine
CID 174430054
4-cyclopropyl-6-[4-(3-methoxyphenyl)piperazin-1-yl]pyrimidine
CID 155980412

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-[4-(3-methoxyphenyl)piperazin-1-yl]-2-methylpyrimidine?
The IUPAC name of 4-chloro-6-[4-(3-methoxyphenyl)piperazin-1-yl]-2-methylpyrimidine (CID 133282077) is 4-chloro-6-[4-(3-methoxyphenyl)piperazin-1-yl]-2-methylpyrimidine.
What is the SMILES notation for 4-chloro-6-[4-(3-methoxyphenyl)piperazin-1-yl]-2-methylpyrimidine?
The canonical SMILES for 4-chloro-6-[4-(3-methoxyphenyl)piperazin-1-yl]-2-methylpyrimidine is COc1cccc(N2CCN(c3cc(Cl)nc(C)n3)CC2)c1.
What is the InChIKey of 4-chloro-6-[4-(3-methoxyphenyl)piperazin-1-yl]-2-methylpyrimidine?
The InChIKey is SHIYSLQRFFVOLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN4O/c1-12-18-15(17)11-16(19-12)21-8-6-20(7-9-21)13-4-3-5-14(10-13)22-2/h3-5,10-11H,6-9H2,1-2H3.
What are the key properties of 4-chloro-6-[4-(3-methoxyphenyl)piperazin-1-yl]-2-methylpyrimidine?
4-chloro-6-[4-(3-methoxyphenyl)piperazin-1-yl]-2-methylpyrimidine has a molecular weight of 318.81 g/mol, XLogP of 2.77, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-[4-(3-methoxyphenyl)piperazin-1-yl]-2-methylpyrimidine is sourced from PubChem (CID 133282077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).