4-N-(2,5-difluorophenyl)-6-N-(3-methylbutyl)pyrimidine-4,5,6-triamine

C15H19F2N5 — CID 19153133

IUPAC4-N-(2,5-difluorophenyl)-6-N-(3-methylbutyl)pyrimidine-4,5,6-triamine
SMILESCC(C)CCNc1ncnc(Nc2cc(F)ccc2F)c1N
InChIInChI=1S/C15H19F2N5/c1-9(2)5-6-19-14-13(18)15(21-8-20-14)22-12-7-10(16)3-4-11(12)17/h3-4,7-9H,5-6,18H2,1-2H3,(H2,19,20,21,22)
InChIKeySTHQPZBSCATJCT-UHFFFAOYSA-N
MW307.35 g/mol
LogP3.54
Rot. Bonds6

About 4-N-(2,5-difluorophenyl)-6-N-(3-methylbutyl)pyrimidine-4,5,6-triamine

4-N-(2,5-difluorophenyl)-6-N-(3-methylbutyl)pyrimidine-4,5,6-triamine (PubChem CID 19153133) has the molecular formula C15H19F2N5 and a molecular weight of 307.35 g/mol. Its IUPAC name is 4-N-(2,5-difluorophenyl)-6-N-(3-methylbutyl)pyrimidine-4,5,6-triamine.

Molecular Properties

Compound Name4-N-(2,5-difluorophenyl)-6-N-(3-methylbutyl)pyrimidine-4,5,6-triamine
PubChem CID19153133
Molecular FormulaC15H19F2N5
Molecular Weight307.35 g/mol
Exact Mass307.16
IUPAC Name4-N-(2,5-difluorophenyl)-6-N-(3-methylbutyl)pyrimidine-4,5,6-triamine
SMILESCC(C)CCNc1ncnc(Nc2cc(F)ccc2F)c1N
InChIInChI=1S/C15H19F2N5/c1-9(2)5-6-19-14-13(18)15(21-8-20-14)22-12-7-10(16)3-4-11(12)17/h3-4,7-9H,5-6,18H2,1-2H3,(H2,19,20,21,22)
InChIKeySTHQPZBSCATJCT-UHFFFAOYSA-N
XLogP3.54
TPSA75.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 53.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

6-N-(2,5-difluorophenyl)-4-N-(1-phenylethyl)pyrimidine-4,5,6-triamine
CID 19145768
4-N-(2,5-difluorophenyl)-6-N-(4-fluorophenyl)pyrimidine-4,5,6-triamine
CID 19149058
6-N-(3-methylbutyl)-4-N-(2-methylphenyl)pyrimidine-4,5,6-triamine
CID 19147842
4-N-(2,5-difluorophenyl)-6-ethoxypyrimidine-4,5-diamine
CID 19152457
4-N-[2-chloro-5-(trifluoromethyl)phenyl]-6-N-(3-methylbutyl)pyrimidine-4,5,6-triamine
CID 22541281
4-N-(2,5-difluorophenyl)-6-N-(4-ethoxyphenyl)pyrimidine-4,5,6-triamine
CID 19149262
6-N-(4-bromo-2-fluorophenyl)-4-N-(2,5-difluorophenyl)pyrimidine-4,5,6-triamine
CID 19152923
6-N-(3-methylbutyl)-4-N-propan-2-ylpyrimidine-4,5,6-triamine
CID 19135694
4-N-(2,5-difluorophenyl)-6-N-(2,5-dimethoxyphenyl)pyrimidine-4,5,6-triamine
CID 19142786
4-N-(2,5-difluorophenyl)-6-N,5-diethylpyrimidine-4,6-diamine
CID 80759222
4-N-(2,5-difluorophenyl)-6-N-(3-methoxyphenyl)pyrimidine-4,5,6-triamine
CID 22543980
N-(2,5-difluorophenyl)-6-hydrazinyl-5-methylpyrimidin-4-amine
CID 80920264

Frequently Asked Questions

What is the IUPAC name of 4-N-(2,5-difluorophenyl)-6-N-(3-methylbutyl)pyrimidine-4,5,6-triamine?
The IUPAC name of 4-N-(2,5-difluorophenyl)-6-N-(3-methylbutyl)pyrimidine-4,5,6-triamine (CID 19153133) is 4-N-(2,5-difluorophenyl)-6-N-(3-methylbutyl)pyrimidine-4,5,6-triamine.
What is the SMILES notation for 4-N-(2,5-difluorophenyl)-6-N-(3-methylbutyl)pyrimidine-4,5,6-triamine?
The canonical SMILES for 4-N-(2,5-difluorophenyl)-6-N-(3-methylbutyl)pyrimidine-4,5,6-triamine is CC(C)CCNc1ncnc(Nc2cc(F)ccc2F)c1N.
What is the InChIKey of 4-N-(2,5-difluorophenyl)-6-N-(3-methylbutyl)pyrimidine-4,5,6-triamine?
The InChIKey is STHQPZBSCATJCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F2N5/c1-9(2)5-6-19-14-13(18)15(21-8-20-14)22-12-7-10(16)3-4-11(12)17/h3-4,7-9H,5-6,18H2,1-2H3,(H2,19,20,21,22).
What are the key properties of 4-N-(2,5-difluorophenyl)-6-N-(3-methylbutyl)pyrimidine-4,5,6-triamine?
4-N-(2,5-difluorophenyl)-6-N-(3-methylbutyl)pyrimidine-4,5,6-triamine has a molecular weight of 307.35 g/mol, XLogP of 3.54, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2,5-difluorophenyl)-6-N-(3-methylbutyl)pyrimidine-4,5,6-triamine is sourced from PubChem (CID 19153133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).