4-N-[(4-chlorophenyl)methyl]-2-N-(2,4-difluorophenyl)-6-methylpyrimidine-2,4-diamine

C18H15ClF2N4 — CID 112918052

IUPAC4-N-[(4-chlorophenyl)methyl]-2-N-(2,4-difluorophenyl)-6-methylpyrimidine-2,4-diamine
SMILESCc1cc(NCc2ccc(Cl)cc2)nc(Nc2ccc(F)cc2F)n1
InChIInChI=1S/C18H15ClF2N4/c1-11-8-17(22-10-12-2-4-13(19)5-3-12)25-18(23-11)24-16-7-6-14(20)9-15(16)21/h2-9H,10H2,1H3,(H2,22,23,24,25)
InChIKeyUWZJNABBRLISJO-UHFFFAOYSA-N
MW360.80 g/mol
LogP5.07
Rot. Bonds5

About 4-N-[(4-chlorophenyl)methyl]-2-N-(2,4-difluorophenyl)-6-methylpyrimidine-2,4-diamine

4-N-[(4-chlorophenyl)methyl]-2-N-(2,4-difluorophenyl)-6-methylpyrimidine-2,4-diamine (PubChem CID 112918052) has the molecular formula C18H15ClF2N4 and a molecular weight of 360.80 g/mol. Its IUPAC name is 4-N-[(4-chlorophenyl)methyl]-2-N-(2,4-difluorophenyl)-6-methylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-[(4-chlorophenyl)methyl]-2-N-(2,4-difluorophenyl)-6-methylpyrimidine-2,4-diamine
PubChem CID112918052
Molecular FormulaC18H15ClF2N4
Molecular Weight360.80 g/mol
Exact Mass360.10
IUPAC Name4-N-[(4-chlorophenyl)methyl]-2-N-(2,4-difluorophenyl)-6-methylpyrimidine-2,4-diamine
SMILESCc1cc(NCc2ccc(Cl)cc2)nc(Nc2ccc(F)cc2F)n1
InChIInChI=1S/C18H15ClF2N4/c1-11-8-17(22-10-12-2-4-13(19)5-3-12)25-18(23-11)24-16-7-6-14(20)9-15(16)21/h2-9H,10H2,1H3,(H2,22,23,24,25)
InChIKeyUWZJNABBRLISJO-UHFFFAOYSA-N
XLogP5.07
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.80
LogP ≤ 55.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-(2,4-difluorophenyl)-6-methyl-2-N-[(4-methylphenyl)methyl]pyrimidine-2,4-diamine
CID 112916596
2-N-(2-chlorophenyl)-4-N-[(4-chlorophenyl)methyl]-6-methylpyrimidine-2,4-diamine
CID 112918017
6-methyl-4-N-[(4-methylphenyl)methyl]-2-N-(2,3,4-trifluorophenyl)pyrimidine-2,4-diamine
CID 112916470
4-N-[(4-chlorophenyl)methyl]-2-N-(3,5-dimethylphenyl)-6-methylpyrimidine-2,4-diamine
CID 112918009
2-N-(5-chloro-2-methylphenyl)-6-methyl-4-N-[(4-methylphenyl)methyl]pyrimidine-2,4-diamine
CID 112916415
2-N-(2,4-difluorophenyl)-4-N-(2-methoxyethyl)-6-methylpyrimidine-2,4-diamine
CID 112911480
2-N-[(4-fluorophenyl)methyl]-6-methyl-4-N-[(4-methylphenyl)methyl]pyrimidine-2,4-diamine
CID 112916340
4-N-(3,5-dichlorophenyl)-2-N-[(4-fluorophenyl)methyl]-6-methylpyrimidine-2,4-diamine
CID 112917733
4-N-[(4-chlorophenyl)methyl]-6-methyl-2-N-quinolin-8-ylpyrimidine-2,4-diamine
CID 112918050
2-N-(5-chloro-2-methoxyphenyl)-4-N-(2,4-difluorophenyl)-6-methylpyrimidine-2,4-diamine
CID 112930365
2-N-(3,4-dimethylphenyl)-4-N-[(4-fluorophenyl)methyl]-6-methylpyrimidine-2,4-diamine
CID 112917530
2-N-(3,4-dichlorophenyl)-4-N-(2,4-difluorophenyl)-6-methylpyrimidine-2,4-diamine
CID 112932110

Frequently Asked Questions

What is the IUPAC name of 4-N-[(4-chlorophenyl)methyl]-2-N-(2,4-difluorophenyl)-6-methylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-[(4-chlorophenyl)methyl]-2-N-(2,4-difluorophenyl)-6-methylpyrimidine-2,4-diamine (CID 112918052) is 4-N-[(4-chlorophenyl)methyl]-2-N-(2,4-difluorophenyl)-6-methylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-[(4-chlorophenyl)methyl]-2-N-(2,4-difluorophenyl)-6-methylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-[(4-chlorophenyl)methyl]-2-N-(2,4-difluorophenyl)-6-methylpyrimidine-2,4-diamine is Cc1cc(NCc2ccc(Cl)cc2)nc(Nc2ccc(F)cc2F)n1.
What is the InChIKey of 4-N-[(4-chlorophenyl)methyl]-2-N-(2,4-difluorophenyl)-6-methylpyrimidine-2,4-diamine?
The InChIKey is UWZJNABBRLISJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClF2N4/c1-11-8-17(22-10-12-2-4-13(19)5-3-12)25-18(23-11)24-16-7-6-14(20)9-15(16)21/h2-9H,10H2,1H3,(H2,22,23,24,25).
What are the key properties of 4-N-[(4-chlorophenyl)methyl]-2-N-(2,4-difluorophenyl)-6-methylpyrimidine-2,4-diamine?
4-N-[(4-chlorophenyl)methyl]-2-N-(2,4-difluorophenyl)-6-methylpyrimidine-2,4-diamine has a molecular weight of 360.80 g/mol, XLogP of 5.07, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(4-chlorophenyl)methyl]-2-N-(2,4-difluorophenyl)-6-methylpyrimidine-2,4-diamine is sourced from PubChem (CID 112918052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).