2-N-(3,4-difluorophenyl)-4-N-(2-methylpropyl)pyrimidine-2,4-diamine

C14H16F2N4 — CID 112883331

IUPAC2-N-(3,4-difluorophenyl)-4-N-(2-methylpropyl)pyrimidine-2,4-diamine
SMILESCC(C)CNc1ccnc(Nc2ccc(F)c(F)c2)n1
InChIInChI=1S/C14H16F2N4/c1-9(2)8-18-13-5-6-17-14(20-13)19-10-3-4-11(15)12(16)7-10/h3-7,9H,8H2,1-2H3,(H2,17,18,19,20)
InChIKeyKUAIVJPATDFGNU-UHFFFAOYSA-N
MW278.31 g/mol
LogP3.57
Rot. Bonds5

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

2-N-(3,4-difluorophenyl)-4-N-(2-methylpropyl)pyrimidine-2,4-diamine (PubChem CID 112883331) has the molecular formula C14H16F2N4 and a molecular weight of 278.31 g/mol. Its IUPAC name is 2-N-(3,4-difluorophenyl)-4-N-(2-methylpropyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-(3,4-difluorophenyl)-4-N-(2-methylpropyl)pyrimidine-2,4-diamine
PubChem CID112883331
Molecular FormulaC14H16F2N4
Molecular Weight278.31 g/mol
Exact Mass278.13
IUPAC Name2-N-(3,4-difluorophenyl)-4-N-(2-methylpropyl)pyrimidine-2,4-diamine
SMILESCC(C)CNc1ccnc(Nc2ccc(F)c(F)c2)n1
InChIInChI=1S/C14H16F2N4/c1-9(2)8-18-13-5-6-17-14(20-13)19-10-3-4-11(15)12(16)7-10/h3-7,9H,8H2,1-2H3,(H2,17,18,19,20)
InChIKeyKUAIVJPATDFGNU-UHFFFAOYSA-N
XLogP3.57
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[2-(3,4-difluoroanilino)pyrimidin-4-yl]amino]ethanol
CID 134158221
4-N-(4-tert-butylphenyl)-2-N-(3,4-difluorophenyl)pyrimidine-2,4-diamine
CID 112903406
4-N-(2-methylpropyl)-2-N-(4-phenoxyphenyl)pyrimidine-2,4-diamine
CID 112883295
2-N-(3,4-difluorophenyl)-4-N-(furan-2-ylmethyl)pyrimidine-2,4-diamine
CID 112889271
4-N-(2-methylpropyl)-2-N-(4-piperidin-1-ylphenyl)pyrimidine-2,4-diamine
CID 112883290
2-N-(3,4-difluorophenyl)-4-N-(2-propan-2-yloxyphenyl)pyrimidine-2,4-diamine
CID 112905143
2-N-(5-chloro-2-methoxyphenyl)-4-N-(2-methylpropyl)pyrimidine-2,4-diamine
CID 112883262
4-N-(4-bromo-2-methylphenyl)-2-N-(3,4-difluorophenyl)pyrimidine-2,4-diamine
CID 112906391
2-N-(2-chloro-4,6-dimethylphenyl)-4-N-(3,4-difluorophenyl)pyrimidine-2,4-diamine
CID 112904250
2-N-(2,5-dichlorophenyl)-4-N-(3,4-difluorophenyl)pyrimidine-2,4-diamine
CID 112906684
2-N-(4-chloro-2-methoxy-5-methylphenyl)-4-N-(2-methylpropyl)pyrimidine-2,4-diamine
CID 112883322
2-N-(4-fluorophenyl)-6-methyl-4-N-(2-methylpropyl)pyrimidine-2,4-diamine
CID 112908574

Frequently Asked Questions

What is the IUPAC name of 2-N-(3,4-difluorophenyl)-4-N-(2-methylpropyl)pyrimidine-2,4-diamine?
The IUPAC name of 2-N-(3,4-difluorophenyl)-4-N-(2-methylpropyl)pyrimidine-2,4-diamine (CID 112883331) is 2-N-(3,4-difluorophenyl)-4-N-(2-methylpropyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-(3,4-difluorophenyl)-4-N-(2-methylpropyl)pyrimidine-2,4-diamine?
The canonical SMILES for 2-N-(3,4-difluorophenyl)-4-N-(2-methylpropyl)pyrimidine-2,4-diamine is CC(C)CNc1ccnc(Nc2ccc(F)c(F)c2)n1.
What is the InChIKey of 2-N-(3,4-difluorophenyl)-4-N-(2-methylpropyl)pyrimidine-2,4-diamine?
The InChIKey is KUAIVJPATDFGNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F2N4/c1-9(2)8-18-13-5-6-17-14(20-13)19-10-3-4-11(15)12(16)7-10/h3-7,9H,8H2,1-2H3,(H2,17,18,19,20).
What are the key properties of 2-N-(3,4-difluorophenyl)-4-N-(2-methylpropyl)pyrimidine-2,4-diamine?
2-N-(3,4-difluorophenyl)-4-N-(2-methylpropyl)pyrimidine-2,4-diamine has a molecular weight of 278.31 g/mol, XLogP of 3.57, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(3,4-difluorophenyl)-4-N-(2-methylpropyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 112883331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).