4,6-dichloro-2-(3-methyl-2-pyridinyl)-5-phenylpyrimidine

C16H11Cl2N3 — CID 65430629

IUPAC4,6-dichloro-2-(3-methyl-2-pyridinyl)-5-phenylpyrimidine
SMILESCc1cccnc1-c1nc(Cl)c(-c2ccccc2)c(Cl)n1
InChIInChI=1S/C16H11Cl2N3/c1-10-6-5-9-19-13(10)16-20-14(17)12(15(18)21-16)11-7-3-2-4-8-11/h2-9H,1H3
InChIKeyFFGQSKFOUDATID-UHFFFAOYSA-N
MW316.19 g/mol
LogP4.82
Rot. Bonds2

About 4,6-dichloro-2-(3-methyl-2-pyridinyl)-5-phenylpyrimidine

4,6-dichloro-2-(3-methyl-2-pyridinyl)-5-phenylpyrimidine (PubChem CID 65430629) has the molecular formula C16H11Cl2N3 and a molecular weight of 316.19 g/mol. Its IUPAC name is 4,6-dichloro-2-(3-methyl-2-pyridinyl)-5-phenylpyrimidine.

Molecular Properties

Compound Name4,6-dichloro-2-(3-methyl-2-pyridinyl)-5-phenylpyrimidine
PubChem CID65430629
Molecular FormulaC16H11Cl2N3
Molecular Weight316.19 g/mol
Exact Mass315.03
IUPAC Name4,6-dichloro-2-(3-methyl-2-pyridinyl)-5-phenylpyrimidine
SMILESCc1cccnc1-c1nc(Cl)c(-c2ccccc2)c(Cl)n1
InChIInChI=1S/C16H11Cl2N3/c1-10-6-5-9-19-13(10)16-20-14(17)12(15(18)21-16)11-7-3-2-4-8-11/h2-9H,1H3
InChIKeyFFGQSKFOUDATID-UHFFFAOYSA-N
XLogP4.82
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.19
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-6-ethyl-5-methyl-2-(3-methyl-2-pyridinyl)pyrimidine
CID 63549133
2-(2-chlorophenyl)-4-[4-(3-methyl-2-pyridinyl)phenyl]-6-phenyl-1,3,5-triazine
CID 163651654
2-[4-[3-(3-methyl-2-pyridinyl)phenyl]phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine
CID 146586970
3-methyl-2-(3-phenylphenyl)pyridine
CID 58975820
2-(2,6-dichlorophenyl)-3-methylpyridine
CID 118841939
ethane;3-methyl-2-phenylpyridine;pentane
CID 155691053
4,6-dichloro-2-(3-chloro-2-pyridinyl)-5-iodopyrimidine
CID 103443010
4-chloro-5-methyl-6-phenyl-2-pyridin-3-ylpyrimidine
CID 104845792
6-methyl-2-(3-methyl-2-pyridinyl)pyrimidin-4-amine
CID 62192081
4,6-dichloro-5-(4-chlorophenyl)-2-pyridin-2-ylpyrimidine
CID 79432804
4-chloro-5-methyl-2-(2-methylphenyl)-6-phenylpyrimidine
CID 104845832
2-(3-methyl-2-pyridinyl)pyrimidin-4-amine
CID 62192811

Frequently Asked Questions

What is the IUPAC name of 4,6-dichloro-2-(3-methyl-2-pyridinyl)-5-phenylpyrimidine?
The IUPAC name of 4,6-dichloro-2-(3-methyl-2-pyridinyl)-5-phenylpyrimidine (CID 65430629) is 4,6-dichloro-2-(3-methyl-2-pyridinyl)-5-phenylpyrimidine.
What is the SMILES notation for 4,6-dichloro-2-(3-methyl-2-pyridinyl)-5-phenylpyrimidine?
The canonical SMILES for 4,6-dichloro-2-(3-methyl-2-pyridinyl)-5-phenylpyrimidine is Cc1cccnc1-c1nc(Cl)c(-c2ccccc2)c(Cl)n1.
What is the InChIKey of 4,6-dichloro-2-(3-methyl-2-pyridinyl)-5-phenylpyrimidine?
The InChIKey is FFGQSKFOUDATID-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11Cl2N3/c1-10-6-5-9-19-13(10)16-20-14(17)12(15(18)21-16)11-7-3-2-4-8-11/h2-9H,1H3.
What are the key properties of 4,6-dichloro-2-(3-methyl-2-pyridinyl)-5-phenylpyrimidine?
4,6-dichloro-2-(3-methyl-2-pyridinyl)-5-phenylpyrimidine has a molecular weight of 316.19 g/mol, XLogP of 4.82, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-2-(3-methyl-2-pyridinyl)-5-phenylpyrimidine is sourced from PubChem (CID 65430629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).