4-N-(3-chloro-4-fluorophenyl)-2-N-(2,6-difluorophenyl)pyrimidine-2,4-diamine

C16H10ClF3N4 — CID 112904153

IUPAC4-N-(3-chloro-4-fluorophenyl)-2-N-(2,6-difluorophenyl)pyrimidine-2,4-diamine
SMILESFc1ccc(Nc2ccnc(Nc3c(F)cccc3F)n2)cc1Cl
InChIInChI=1S/C16H10ClF3N4/c17-10-8-9(4-5-11(10)18)22-14-6-7-21-16(23-14)24-15-12(19)2-1-3-13(15)20/h1-8H,(H2,21,22,23,24)
InChIKeyNAVYTBAGEZIZOU-UHFFFAOYSA-N
MW350.73 g/mol
LogP5.03
Rot. Bonds4

About 4-N-(3-chloro-4-fluorophenyl)-2-N-(2,6-difluorophenyl)pyrimidine-2,4-diamine

4-N-(3-chloro-4-fluorophenyl)-2-N-(2,6-difluorophenyl)pyrimidine-2,4-diamine (PubChem CID 112904153) has the molecular formula C16H10ClF3N4 and a molecular weight of 350.73 g/mol. Its IUPAC name is 4-N-(3-chloro-4-fluorophenyl)-2-N-(2,6-difluorophenyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(3-chloro-4-fluorophenyl)-2-N-(2,6-difluorophenyl)pyrimidine-2,4-diamine
PubChem CID112904153
Molecular FormulaC16H10ClF3N4
Molecular Weight350.73 g/mol
Exact Mass350.05
IUPAC Name4-N-(3-chloro-4-fluorophenyl)-2-N-(2,6-difluorophenyl)pyrimidine-2,4-diamine
SMILESFc1ccc(Nc2ccnc(Nc3c(F)cccc3F)n2)cc1Cl
InChIInChI=1S/C16H10ClF3N4/c17-10-8-9(4-5-11(10)18)22-14-6-7-21-16(23-14)24-15-12(19)2-1-3-13(15)20/h1-8H,(H2,21,22,23,24)
InChIKeyNAVYTBAGEZIZOU-UHFFFAOYSA-N
XLogP5.03
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.73
LogP ≤ 55.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-N-(2-bromophenyl)-4-N-(3-chloro-4-fluorophenyl)pyrimidine-2,4-diamine
CID 112904141
4-N-(3-chloro-4-fluorophenyl)-2-N-(2,3,4-trifluorophenyl)pyrimidine-2,4-diamine
CID 112904152
N-(3-chloro-4-fluorophenyl)-2-(2,6-difluoroanilino)pyrimidine-4-carboxamide
CID 109317368
4-N-(3-chloro-4-fluorophenyl)-2-N-[4-(dimethylamino)phenyl]pyrimidine-2,4-diamine
CID 112904136
4-[[4-(3-chloro-4-fluoroanilino)pyrimidin-2-yl]amino]benzenesulfonyl chloride
CID 86624104
4-N-(3-chloro-4-fluorophenyl)-2-N-[2-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
CID 112904127
4-N-(3-chloro-4-fluorophenyl)-2-N-[(2-chlorophenyl)methyl]pyrimidine-2,4-diamine
CID 112891827
4-N-(3-chloro-4-fluorophenyl)-2-N-[2-(2-fluorophenyl)ethyl]pyrimidine-2,4-diamine
CID 112894617
4-N-(3-chloro-4-fluorophenyl)pyrimidine-2,4-diamine
CID 80755292
2-N-(2-chloro-4,6-dimethylphenyl)-4-N-(3,4-difluorophenyl)pyrimidine-2,4-diamine
CID 112904250
4-N-(5-chloro-2-methoxyphenyl)-2-N-(2,6-difluorophenyl)pyrimidine-2,4-diamine
CID 112904387
methyl 2-[[4-(3-chloro-4-fluoroanilino)pyrimidin-2-yl]amino]benzoate
CID 112904133

Frequently Asked Questions

What is the IUPAC name of 4-N-(3-chloro-4-fluorophenyl)-2-N-(2,6-difluorophenyl)pyrimidine-2,4-diamine?
The IUPAC name of 4-N-(3-chloro-4-fluorophenyl)-2-N-(2,6-difluorophenyl)pyrimidine-2,4-diamine (CID 112904153) is 4-N-(3-chloro-4-fluorophenyl)-2-N-(2,6-difluorophenyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(3-chloro-4-fluorophenyl)-2-N-(2,6-difluorophenyl)pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(3-chloro-4-fluorophenyl)-2-N-(2,6-difluorophenyl)pyrimidine-2,4-diamine is Fc1ccc(Nc2ccnc(Nc3c(F)cccc3F)n2)cc1Cl.
What is the InChIKey of 4-N-(3-chloro-4-fluorophenyl)-2-N-(2,6-difluorophenyl)pyrimidine-2,4-diamine?
The InChIKey is NAVYTBAGEZIZOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10ClF3N4/c17-10-8-9(4-5-11(10)18)22-14-6-7-21-16(23-14)24-15-12(19)2-1-3-13(15)20/h1-8H,(H2,21,22,23,24).
What are the key properties of 4-N-(3-chloro-4-fluorophenyl)-2-N-(2,6-difluorophenyl)pyrimidine-2,4-diamine?
4-N-(3-chloro-4-fluorophenyl)-2-N-(2,6-difluorophenyl)pyrimidine-2,4-diamine has a molecular weight of 350.73 g/mol, XLogP of 5.03, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3-chloro-4-fluorophenyl)-2-N-(2,6-difluorophenyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 112904153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).