4-[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-6-methyl-2-phenylpyrimidine

C22H20ClN3 — CID 3228644

IUPAC4-[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-6-methyl-2-phenylpyrimidine
SMILESCc1cc(N2CC=C(c3ccc(Cl)cc3)CC2)nc(-c2ccccc2)n1
InChIInChI=1S/C22H20ClN3/c1-16-15-21(25-22(24-16)19-5-3-2-4-6-19)26-13-11-18(12-14-26)17-7-9-20(23)10-8-17/h2-11,15H,12-14H2,1H3
InChIKeyQAKULUCRJMXGCQ-UHFFFAOYSA-N
MW361.88 g/mol
LogP5.40
Rot. Bonds3

About 4-[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-6-methyl-2-phenylpyrimidine

4-[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-6-methyl-2-phenylpyrimidine (PubChem CID 3228644) has the molecular formula C22H20ClN3 and a molecular weight of 361.88 g/mol. Its IUPAC name is 4-[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-6-methyl-2-phenylpyrimidine.

Molecular Properties

Compound Name4-[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-6-methyl-2-phenylpyrimidine
PubChem CID3228644
Molecular FormulaC22H20ClN3
Molecular Weight361.88 g/mol
Exact Mass361.13
IUPAC Name4-[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-6-methyl-2-phenylpyrimidine
SMILESCc1cc(N2CC=C(c3ccc(Cl)cc3)CC2)nc(-c2ccccc2)n1
InChIInChI=1S/C22H20ClN3/c1-16-15-21(25-22(24-16)19-5-3-2-4-6-19)26-13-11-18(12-14-26)17-7-9-20(23)10-8-17/h2-11,15H,12-14H2,1H3
InChIKeyQAKULUCRJMXGCQ-UHFFFAOYSA-N
XLogP5.40
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.88
LogP ≤ 55.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-6-methyl-2-phenylpyrimidine?
The IUPAC name of 4-[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-6-methyl-2-phenylpyrimidine (CID 3228644) is 4-[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-6-methyl-2-phenylpyrimidine.
What is the SMILES notation for 4-[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-6-methyl-2-phenylpyrimidine?
The canonical SMILES for 4-[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-6-methyl-2-phenylpyrimidine is Cc1cc(N2CC=C(c3ccc(Cl)cc3)CC2)nc(-c2ccccc2)n1.
What is the InChIKey of 4-[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-6-methyl-2-phenylpyrimidine?
The InChIKey is QAKULUCRJMXGCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20ClN3/c1-16-15-21(25-22(24-16)19-5-3-2-4-6-19)26-13-11-18(12-14-26)17-7-9-20(23)10-8-17/h2-11,15H,12-14H2,1H3.
What are the key properties of 4-[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-6-methyl-2-phenylpyrimidine?
4-[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-6-methyl-2-phenylpyrimidine has a molecular weight of 361.88 g/mol, XLogP of 5.40, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-6-methyl-2-phenylpyrimidine is sourced from PubChem (CID 3228644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).