2-N-(4-chloro-2-methylphenyl)-4-N-(2,6-difluorophenyl)-6-methylpyrimidine-2,4-diamine

C18H15ClF2N4 — CID 112930077

IUPAC2-N-(4-chloro-2-methylphenyl)-4-N-(2,6-difluorophenyl)-6-methylpyrimidine-2,4-diamine
SMILESCc1cc(Nc2c(F)cccc2F)nc(Nc2ccc(Cl)cc2C)n1
InChIInChI=1S/C18H15ClF2N4/c1-10-8-12(19)6-7-15(10)23-18-22-11(2)9-16(25-18)24-17-13(20)4-3-5-14(17)21/h3-9H,1-2H3,(H2,22,23,24,25)
InChIKeyZDQKLSDNAUSYDS-UHFFFAOYSA-N
MW360.80 g/mol
LogP5.51
Rot. Bonds4

About 2-N-(4-chloro-2-methylphenyl)-4-N-(2,6-difluorophenyl)-6-methylpyrimidine-2,4-diamine

2-N-(4-chloro-2-methylphenyl)-4-N-(2,6-difluorophenyl)-6-methylpyrimidine-2,4-diamine (PubChem CID 112930077) has the molecular formula C18H15ClF2N4 and a molecular weight of 360.80 g/mol. Its IUPAC name is 2-N-(4-chloro-2-methylphenyl)-4-N-(2,6-difluorophenyl)-6-methylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-(4-chloro-2-methylphenyl)-4-N-(2,6-difluorophenyl)-6-methylpyrimidine-2,4-diamine
PubChem CID112930077
Molecular FormulaC18H15ClF2N4
Molecular Weight360.80 g/mol
Exact Mass360.10
IUPAC Name2-N-(4-chloro-2-methylphenyl)-4-N-(2,6-difluorophenyl)-6-methylpyrimidine-2,4-diamine
SMILESCc1cc(Nc2c(F)cccc2F)nc(Nc2ccc(Cl)cc2C)n1
InChIInChI=1S/C18H15ClF2N4/c1-10-8-12(19)6-7-15(10)23-18-22-11(2)9-16(25-18)24-17-13(20)4-3-5-14(17)21/h3-9H,1-2H3,(H2,22,23,24,25)
InChIKeyZDQKLSDNAUSYDS-UHFFFAOYSA-N
XLogP5.51
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.80
LogP ≤ 55.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-(3-chlorophenyl)-2-N-(2,6-difluorophenyl)-6-methylpyrimidine-2,4-diamine
CID 112929739
4-N-(3,5-dichlorophenyl)-2-N-(2,6-difluorophenyl)-6-methylpyrimidine-2,4-diamine
CID 112932223
2-N-(4-chloro-2-methylphenyl)-6-methyl-4-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-2,4-diamine
CID 112930079
2-N-(4-chloro-2-methylphenyl)-4-N-(2-methoxyphenyl)-6-methylpyrimidine-2,4-diamine
CID 112930048
N-(2,6-difluorophenyl)-2-hydrazinyl-6-methylpyrimidin-4-amine
CID 80921095
4-N-(2,6-difluorophenyl)-2-N-(3,5-dimethylphenyl)-6-methylpyrimidine-2,4-diamine
CID 112928360
2-N-(2,4-difluorophenyl)-4-N-(2,6-dimethylphenyl)-6-methylpyrimidine-2,4-diamine
CID 112928401
2-N-[2-(3-chlorophenyl)ethyl]-4-N-(2,6-difluorophenyl)-6-methylpyrimidine-2,4-diamine
CID 112926552
4-N-(2-fluorophenyl)-6-methyl-2-N-(2-methylphenyl)pyrimidine-2,4-diamine
CID 112927092
4-N-(4-chloro-2-methylphenyl)-2-N-(2-ethoxyphenyl)-6-methylpyrimidine-2,4-diamine
CID 112930019
2-N-(4-chloro-2-methylphenyl)-4-N-(2,4-dimethoxyphenyl)-6-methylpyrimidine-2,4-diamine
CID 112930055
2-N-(4-chloro-2-methylphenyl)-4-N-(3,4-dimethoxyphenyl)-6-methylpyrimidine-2,4-diamine
CID 112930056

Frequently Asked Questions

What is the IUPAC name of 2-N-(4-chloro-2-methylphenyl)-4-N-(2,6-difluorophenyl)-6-methylpyrimidine-2,4-diamine?
The IUPAC name of 2-N-(4-chloro-2-methylphenyl)-4-N-(2,6-difluorophenyl)-6-methylpyrimidine-2,4-diamine (CID 112930077) is 2-N-(4-chloro-2-methylphenyl)-4-N-(2,6-difluorophenyl)-6-methylpyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-(4-chloro-2-methylphenyl)-4-N-(2,6-difluorophenyl)-6-methylpyrimidine-2,4-diamine?
The canonical SMILES for 2-N-(4-chloro-2-methylphenyl)-4-N-(2,6-difluorophenyl)-6-methylpyrimidine-2,4-diamine is Cc1cc(Nc2c(F)cccc2F)nc(Nc2ccc(Cl)cc2C)n1.
What is the InChIKey of 2-N-(4-chloro-2-methylphenyl)-4-N-(2,6-difluorophenyl)-6-methylpyrimidine-2,4-diamine?
The InChIKey is ZDQKLSDNAUSYDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClF2N4/c1-10-8-12(19)6-7-15(10)23-18-22-11(2)9-16(25-18)24-17-13(20)4-3-5-14(17)21/h3-9H,1-2H3,(H2,22,23,24,25).
What are the key properties of 2-N-(4-chloro-2-methylphenyl)-4-N-(2,6-difluorophenyl)-6-methylpyrimidine-2,4-diamine?
2-N-(4-chloro-2-methylphenyl)-4-N-(2,6-difluorophenyl)-6-methylpyrimidine-2,4-diamine has a molecular weight of 360.80 g/mol, XLogP of 5.51, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(4-chloro-2-methylphenyl)-4-N-(2,6-difluorophenyl)-6-methylpyrimidine-2,4-diamine is sourced from PubChem (CID 112930077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).