4,6-dichloro-2-[(4-fluorophenyl)methyl]-5-propylpyrimidine

C14H13Cl2FN2 — CID 63611318

IUPAC4,6-dichloro-2-[(4-fluorophenyl)methyl]-5-propylpyrimidine
SMILESCCCc1c(Cl)nc(Cc2ccc(F)cc2)nc1Cl
InChIInChI=1S/C14H13Cl2FN2/c1-2-3-11-13(15)18-12(19-14(11)16)8-9-4-6-10(17)7-5-9/h4-7H,2-3,8H2,1H3
InChIKeyPQOIMKKWGRUIEX-UHFFFAOYSA-N
MW299.18 g/mol
LogP4.47
Rot. Bonds4

About 4,6-dichloro-2-[(4-fluorophenyl)methyl]-5-propylpyrimidine

4,6-dichloro-2-[(4-fluorophenyl)methyl]-5-propylpyrimidine (PubChem CID 63611318) has the molecular formula C14H13Cl2FN2 and a molecular weight of 299.18 g/mol. Its IUPAC name is 4,6-dichloro-2-[(4-fluorophenyl)methyl]-5-propylpyrimidine.

Molecular Properties

Compound Name4,6-dichloro-2-[(4-fluorophenyl)methyl]-5-propylpyrimidine
PubChem CID63611318
Molecular FormulaC14H13Cl2FN2
Molecular Weight299.18 g/mol
Exact Mass298.04
IUPAC Name4,6-dichloro-2-[(4-fluorophenyl)methyl]-5-propylpyrimidine
SMILESCCCc1c(Cl)nc(Cc2ccc(F)cc2)nc1Cl
InChIInChI=1S/C14H13Cl2FN2/c1-2-3-11-13(15)18-12(19-14(11)16)8-9-4-6-10(17)7-5-9/h4-7H,2-3,8H2,1H3
InChIKeyPQOIMKKWGRUIEX-UHFFFAOYSA-N
XLogP4.47
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.18
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-4-chloro-2-[(4-fluorophenyl)methyl]-6-propylpyrimidine
CID 66293966
4-chloro-2-[(4-fluorophenyl)methyl]-5,6,7,8-tetrahydroquinazoline
CID 61382204
4-chloro-2-[(4-chlorophenyl)methyl]-5-ethyl-6-methylpyrimidine
CID 54898228
1-fluoro-4-propylbenzene
CID 2737505
2-butyl-4,6-dichloro-5-propylpyrimidine
CID 79404356
2-(2-bromo-5-fluorophenyl)-4,6-dichloro-5-propylpyrimidine
CID 107923785
4,6-dichloro-2-[(3,4-dichlorophenyl)methyl]-5-ethylpyrimidine
CID 63611985
4,6-dichloro-5-propyl-2-(3,3,3-trifluoropropyl)pyrimidine
CID 79952984
1-[2-[(4-fluorophenyl)methyl]-4,6-dimethylpyrimidin-5-yl]-N-methylmethanamine
CID 62744269
5-ethyl-2-[(4-fluorophenyl)methyl]-N,6-dimethylpyrimidin-4-amine
CID 62191963
4,6-dichloro-2-[(4-chlorophenyl)methyl]-5-methylpyrimidine
CID 63612652
2-[4-[(4-fluorophenyl)methyl]-6-methyl-1,3,5-triazin-2-yl]ethanamine
CID 82479364

Frequently Asked Questions

What is the IUPAC name of 4,6-dichloro-2-[(4-fluorophenyl)methyl]-5-propylpyrimidine?
The IUPAC name of 4,6-dichloro-2-[(4-fluorophenyl)methyl]-5-propylpyrimidine (CID 63611318) is 4,6-dichloro-2-[(4-fluorophenyl)methyl]-5-propylpyrimidine.
What is the SMILES notation for 4,6-dichloro-2-[(4-fluorophenyl)methyl]-5-propylpyrimidine?
The canonical SMILES for 4,6-dichloro-2-[(4-fluorophenyl)methyl]-5-propylpyrimidine is CCCc1c(Cl)nc(Cc2ccc(F)cc2)nc1Cl.
What is the InChIKey of 4,6-dichloro-2-[(4-fluorophenyl)methyl]-5-propylpyrimidine?
The InChIKey is PQOIMKKWGRUIEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Cl2FN2/c1-2-3-11-13(15)18-12(19-14(11)16)8-9-4-6-10(17)7-5-9/h4-7H,2-3,8H2,1H3.
What are the key properties of 4,6-dichloro-2-[(4-fluorophenyl)methyl]-5-propylpyrimidine?
4,6-dichloro-2-[(4-fluorophenyl)methyl]-5-propylpyrimidine has a molecular weight of 299.18 g/mol, XLogP of 4.47, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-2-[(4-fluorophenyl)methyl]-5-propylpyrimidine is sourced from PubChem (CID 63611318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).