4-N-(3-chlorophenyl)-2-N-(2,6-difluorophenyl)-6-methylpyrimidine-2,4-diamine

C17H13ClF2N4 — CID 112929739

IUPAC4-N-(3-chlorophenyl)-2-N-(2,6-difluorophenyl)-6-methylpyrimidine-2,4-diamine
SMILESCc1cc(Nc2cccc(Cl)c2)nc(Nc2c(F)cccc2F)n1
InChIInChI=1S/C17H13ClF2N4/c1-10-8-15(22-12-5-2-4-11(18)9-12)23-17(21-10)24-16-13(19)6-3-7-14(16)20/h2-9H,1H3,(H2,21,22,23,24)
InChIKeyRRNAJNZWUXMTRA-UHFFFAOYSA-N
MW346.77 g/mol
LogP5.20
Rot. Bonds4

About 4-N-(3-chlorophenyl)-2-N-(2,6-difluorophenyl)-6-methylpyrimidine-2,4-diamine

4-N-(3-chlorophenyl)-2-N-(2,6-difluorophenyl)-6-methylpyrimidine-2,4-diamine (PubChem CID 112929739) has the molecular formula C17H13ClF2N4 and a molecular weight of 346.77 g/mol. Its IUPAC name is 4-N-(3-chlorophenyl)-2-N-(2,6-difluorophenyl)-6-methylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(3-chlorophenyl)-2-N-(2,6-difluorophenyl)-6-methylpyrimidine-2,4-diamine
PubChem CID112929739
Molecular FormulaC17H13ClF2N4
Molecular Weight346.77 g/mol
Exact Mass346.08
IUPAC Name4-N-(3-chlorophenyl)-2-N-(2,6-difluorophenyl)-6-methylpyrimidine-2,4-diamine
SMILESCc1cc(Nc2cccc(Cl)c2)nc(Nc2c(F)cccc2F)n1
InChIInChI=1S/C17H13ClF2N4/c1-10-8-15(22-12-5-2-4-11(18)9-12)23-17(21-10)24-16-13(19)6-3-7-14(16)20/h2-9H,1H3,(H2,21,22,23,24)
InChIKeyRRNAJNZWUXMTRA-UHFFFAOYSA-N
XLogP5.20
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.77
LogP ≤ 55.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-(3,5-dichlorophenyl)-2-N-(2,6-difluorophenyl)-6-methylpyrimidine-2,4-diamine
CID 112932223
2-N-(2,6-difluorophenyl)-6-methyl-4-N-(4-methylphenyl)pyrimidine-2,4-diamine
CID 112927396
4-N-(3-chloro-4-methoxyphenyl)-2-N-(2,6-difluorophenyl)-6-methylpyrimidine-2,4-diamine
CID 112930282
2-N-(4-chloro-2-methylphenyl)-4-N-(2,6-difluorophenyl)-6-methylpyrimidine-2,4-diamine
CID 112930077
4-N-(4-bromophenyl)-2-N-(3-chlorophenyl)-6-methylpyrimidine-2,4-diamine
CID 112929746
2-N-[2-(3-chlorophenyl)ethyl]-4-N-(2,6-difluorophenyl)-6-methylpyrimidine-2,4-diamine
CID 112926552
4-N-(3-chlorophenyl)-2-N-[4-(dimethylamino)phenyl]-6-methylpyrimidine-2,4-diamine
CID 112929719
N-[3-[[4-(3-chloroanilino)-6-methylpyrimidin-2-yl]amino]phenyl]acetamide
CID 112929714
N-[4-[[2-(2,6-difluoroanilino)-6-methylpyrimidin-4-yl]amino]phenyl]acetamide
CID 112931553
4-N-(2-bromophenyl)-2-N-(3-chlorophenyl)-6-methylpyrimidine-2,4-diamine
CID 112929774
4-N-(4-chlorophenyl)-2-N-(2,6-dimethylphenyl)-6-methylpyrimidine-2,4-diamine
CID 112928418
4-N-(2,6-difluorophenyl)-2-N-(3,5-dimethylphenyl)-6-methylpyrimidine-2,4-diamine
CID 112928360

Frequently Asked Questions

What is the IUPAC name of 4-N-(3-chlorophenyl)-2-N-(2,6-difluorophenyl)-6-methylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-(3-chlorophenyl)-2-N-(2,6-difluorophenyl)-6-methylpyrimidine-2,4-diamine (CID 112929739) is 4-N-(3-chlorophenyl)-2-N-(2,6-difluorophenyl)-6-methylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(3-chlorophenyl)-2-N-(2,6-difluorophenyl)-6-methylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(3-chlorophenyl)-2-N-(2,6-difluorophenyl)-6-methylpyrimidine-2,4-diamine is Cc1cc(Nc2cccc(Cl)c2)nc(Nc2c(F)cccc2F)n1.
What is the InChIKey of 4-N-(3-chlorophenyl)-2-N-(2,6-difluorophenyl)-6-methylpyrimidine-2,4-diamine?
The InChIKey is RRNAJNZWUXMTRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClF2N4/c1-10-8-15(22-12-5-2-4-11(18)9-12)23-17(21-10)24-16-13(19)6-3-7-14(16)20/h2-9H,1H3,(H2,21,22,23,24).
What are the key properties of 4-N-(3-chlorophenyl)-2-N-(2,6-difluorophenyl)-6-methylpyrimidine-2,4-diamine?
4-N-(3-chlorophenyl)-2-N-(2,6-difluorophenyl)-6-methylpyrimidine-2,4-diamine has a molecular weight of 346.77 g/mol, XLogP of 5.20, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3-chlorophenyl)-2-N-(2,6-difluorophenyl)-6-methylpyrimidine-2,4-diamine is sourced from PubChem (CID 112929739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).