4-chloro-2-[(4-chlorophenyl)methyl]-6-(1-methylpyrazol-4-yl)pyrimidine

C15H12Cl2N4 — CID 106715271

IUPAC4-chloro-2-[(4-chlorophenyl)methyl]-6-(1-methylpyrazol-4-yl)pyrimidine
SMILESCn1cc(-c2cc(Cl)nc(Cc3ccc(Cl)cc3)n2)cn1
InChIInChI=1S/C15H12Cl2N4/c1-21-9-11(8-18-21)13-7-14(17)20-15(19-13)6-10-2-4-12(16)5-3-10/h2-5,7-9H,6H2,1H3
InChIKeyHQBLSLQWOXBPKT-UHFFFAOYSA-N
MW319.20 g/mol
LogP3.77
Rot. Bonds3

About 4-chloro-2-[(4-chlorophenyl)methyl]-6-(1-methylpyrazol-4-yl)pyrimidine

4-chloro-2-[(4-chlorophenyl)methyl]-6-(1-methylpyrazol-4-yl)pyrimidine (PubChem CID 106715271) has the molecular formula C15H12Cl2N4 and a molecular weight of 319.20 g/mol. Its IUPAC name is 4-chloro-2-[(4-chlorophenyl)methyl]-6-(1-methylpyrazol-4-yl)pyrimidine.

Molecular Properties

Compound Name4-chloro-2-[(4-chlorophenyl)methyl]-6-(1-methylpyrazol-4-yl)pyrimidine
PubChem CID106715271
Molecular FormulaC15H12Cl2N4
Molecular Weight319.20 g/mol
Exact Mass318.04
IUPAC Name4-chloro-2-[(4-chlorophenyl)methyl]-6-(1-methylpyrazol-4-yl)pyrimidine
SMILESCn1cc(-c2cc(Cl)nc(Cc3ccc(Cl)cc3)n2)cn1
InChIInChI=1S/C15H12Cl2N4/c1-21-9-11(8-18-21)13-7-14(17)20-15(19-13)6-10-2-4-12(16)5-3-10/h2-5,7-9H,6H2,1H3
InChIKeyHQBLSLQWOXBPKT-UHFFFAOYSA-N
XLogP3.77
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.20
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-6-(1-methylpyrazol-4-yl)-2-propylpyrimidine
CID 80945558
2-[4-chloro-6-(1-methylpyrazol-4-yl)pyrimidin-2-yl]-N,N-diethylethanamine
CID 106715360
4-chloro-6-(1-methylpyrazol-4-yl)-2-(2,2,2-trifluoroethoxymethyl)pyrimidine
CID 106715359
4-chloro-2-(cyclopentylsulfanylmethyl)-6-(1-methylpyrazol-4-yl)pyrimidine
CID 106715370
4-chloro-2-(4-fluorophenyl)-6-(1-methylpyrazol-4-yl)pyrimidine
CID 106715379
4-chloro-2-(2,2-dimethylcyclopropyl)-6-(1-methylpyrazol-4-yl)pyrimidine
CID 107925460
4-chloro-2-(1-methylpyrazol-4-yl)-6-phenylpyrimidine
CID 43557664
4-chloro-2-(2-methylcyclopropyl)-6-(1-methylpyrazol-4-yl)pyrimidine
CID 106715389
2-[(4-chlorophenyl)methyl]-5-(1-methylpyrazol-4-yl)-1,3,4-oxadiazole
CID 19585229
4-chloro-6-(1-methylpyrazol-4-yl)-2-(6-methyl-2-pyridinyl)pyrimidine
CID 106715293
4-chloro-2-(2-ethylphenyl)-6-(1-methylpyrazol-4-yl)pyrimidine
CID 106715433
6-chloro-2-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridine
CID 115403826

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[(4-chlorophenyl)methyl]-6-(1-methylpyrazol-4-yl)pyrimidine?
The IUPAC name of 4-chloro-2-[(4-chlorophenyl)methyl]-6-(1-methylpyrazol-4-yl)pyrimidine (CID 106715271) is 4-chloro-2-[(4-chlorophenyl)methyl]-6-(1-methylpyrazol-4-yl)pyrimidine.
What is the SMILES notation for 4-chloro-2-[(4-chlorophenyl)methyl]-6-(1-methylpyrazol-4-yl)pyrimidine?
The canonical SMILES for 4-chloro-2-[(4-chlorophenyl)methyl]-6-(1-methylpyrazol-4-yl)pyrimidine is Cn1cc(-c2cc(Cl)nc(Cc3ccc(Cl)cc3)n2)cn1.
What is the InChIKey of 4-chloro-2-[(4-chlorophenyl)methyl]-6-(1-methylpyrazol-4-yl)pyrimidine?
The InChIKey is HQBLSLQWOXBPKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl2N4/c1-21-9-11(8-18-21)13-7-14(17)20-15(19-13)6-10-2-4-12(16)5-3-10/h2-5,7-9H,6H2,1H3.
What are the key properties of 4-chloro-2-[(4-chlorophenyl)methyl]-6-(1-methylpyrazol-4-yl)pyrimidine?
4-chloro-2-[(4-chlorophenyl)methyl]-6-(1-methylpyrazol-4-yl)pyrimidine has a molecular weight of 319.20 g/mol, XLogP of 3.77, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[(4-chlorophenyl)methyl]-6-(1-methylpyrazol-4-yl)pyrimidine is sourced from PubChem (CID 106715271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).