2-N-(3,4-difluorophenyl)-4-N-(2-propan-2-yloxyphenyl)pyrimidine-2,4-diamine

C19H18F2N4O — CID 112905143

IUPAC2-N-(3,4-difluorophenyl)-4-N-(2-propan-2-yloxyphenyl)pyrimidine-2,4-diamine
SMILESCC(C)Oc1ccccc1Nc1ccnc(Nc2ccc(F)c(F)c2)n1
InChIInChI=1S/C19H18F2N4O/c1-12(2)26-17-6-4-3-5-16(17)24-18-9-10-22-19(25-18)23-13-7-8-14(20)15(21)11-13/h3-12H,1-2H3,(H2,22,23,24,25)
InChIKeyJMKLXXJGBKVYOG-UHFFFAOYSA-N
MW356.38 g/mol
LogP5.03
Rot. Bonds6

About 2-N-(3,4-difluorophenyl)-4-N-(2-propan-2-yloxyphenyl)pyrimidine-2,4-diamine

2-N-(3,4-difluorophenyl)-4-N-(2-propan-2-yloxyphenyl)pyrimidine-2,4-diamine (PubChem CID 112905143) has the molecular formula C19H18F2N4O and a molecular weight of 356.38 g/mol. Its IUPAC name is 2-N-(3,4-difluorophenyl)-4-N-(2-propan-2-yloxyphenyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-(3,4-difluorophenyl)-4-N-(2-propan-2-yloxyphenyl)pyrimidine-2,4-diamine
PubChem CID112905143
Molecular FormulaC19H18F2N4O
Molecular Weight356.38 g/mol
Exact Mass356.14
IUPAC Name2-N-(3,4-difluorophenyl)-4-N-(2-propan-2-yloxyphenyl)pyrimidine-2,4-diamine
SMILESCC(C)Oc1ccccc1Nc1ccnc(Nc2ccc(F)c(F)c2)n1
InChIInChI=1S/C19H18F2N4O/c1-12(2)26-17-6-4-3-5-16(17)24-18-9-10-22-19(25-18)23-13-7-8-14(20)15(21)11-13/h3-12H,1-2H3,(H2,22,23,24,25)
InChIKeyJMKLXXJGBKVYOG-UHFFFAOYSA-N
XLogP5.03
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.38
LogP ≤ 55.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-(4-chlorophenyl)-2-N-(2-propan-2-yloxyphenyl)pyrimidine-2,4-diamine
CID 112903764
2-N-(3-chloro-4-methoxyphenyl)-4-N-(2-propan-2-yloxyphenyl)pyrimidine-2,4-diamine
CID 112904305
4-N-(3-methoxyphenyl)-2-N-(2-propan-2-yloxyphenyl)pyrimidine-2,4-diamine
CID 112904627
2-N-(2-propan-2-yloxyphenyl)-4-N-(4-propan-2-yloxyphenyl)pyrimidine-2,4-diamine
CID 112905145
1-[4-[[4-(2-propan-2-yloxyanilino)pyrimidin-2-yl]amino]phenyl]ethanone
CID 112905111
methyl 4-[[4-(2-propan-2-yloxyanilino)pyrimidin-2-yl]amino]benzoate
CID 112905116
4-N-(2-propan-2-yloxyphenyl)-2-N-quinolin-8-ylpyrimidine-2,4-diamine
CID 112905125
4-N-(2-propan-2-yloxyphenyl)-2-N-propylpyrimidine-2,4-diamine
CID 112881959
2-N-(2-propan-2-yloxyphenyl)-4-N-propylpyrimidine-2,4-diamine
CID 112881861
2-N-(3,4-difluorophenyl)-4-N-(2-methylpropyl)pyrimidine-2,4-diamine
CID 112883331
4-N-(4-bromo-2-methylphenyl)-2-N-(3,4-difluorophenyl)pyrimidine-2,4-diamine
CID 112906391
4-N-(4-tert-butylphenyl)-2-N-(3,4-difluorophenyl)pyrimidine-2,4-diamine
CID 112903406

Frequently Asked Questions

What is the IUPAC name of 2-N-(3,4-difluorophenyl)-4-N-(2-propan-2-yloxyphenyl)pyrimidine-2,4-diamine?
The IUPAC name of 2-N-(3,4-difluorophenyl)-4-N-(2-propan-2-yloxyphenyl)pyrimidine-2,4-diamine (CID 112905143) is 2-N-(3,4-difluorophenyl)-4-N-(2-propan-2-yloxyphenyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-(3,4-difluorophenyl)-4-N-(2-propan-2-yloxyphenyl)pyrimidine-2,4-diamine?
The canonical SMILES for 2-N-(3,4-difluorophenyl)-4-N-(2-propan-2-yloxyphenyl)pyrimidine-2,4-diamine is CC(C)Oc1ccccc1Nc1ccnc(Nc2ccc(F)c(F)c2)n1.
What is the InChIKey of 2-N-(3,4-difluorophenyl)-4-N-(2-propan-2-yloxyphenyl)pyrimidine-2,4-diamine?
The InChIKey is JMKLXXJGBKVYOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F2N4O/c1-12(2)26-17-6-4-3-5-16(17)24-18-9-10-22-19(25-18)23-13-7-8-14(20)15(21)11-13/h3-12H,1-2H3,(H2,22,23,24,25).
What are the key properties of 2-N-(3,4-difluorophenyl)-4-N-(2-propan-2-yloxyphenyl)pyrimidine-2,4-diamine?
2-N-(3,4-difluorophenyl)-4-N-(2-propan-2-yloxyphenyl)pyrimidine-2,4-diamine has a molecular weight of 356.38 g/mol, XLogP of 5.03, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(3,4-difluorophenyl)-4-N-(2-propan-2-yloxyphenyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 112905143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).