2-tert-butyl-4-N-(3-fluorophenyl)-6-N-methylpyrimidine-4,6-diamine

C15H19FN4 — CID 80955468

IUPAC2-tert-butyl-4-N-(3-fluorophenyl)-6-N-methylpyrimidine-4,6-diamine
SMILESCNc1cc(Nc2cccc(F)c2)nc(C(C)(C)C)n1
InChIInChI=1S/C15H19FN4/c1-15(2,3)14-19-12(17-4)9-13(20-14)18-11-7-5-6-10(16)8-11/h5-9H,1-4H3,(H2,17,18,19,20)
InChIKeyLXOABONJRHWAEI-UHFFFAOYSA-N
MW274.34 g/mol
LogP3.70
Rot. Bonds3

About 2-tert-butyl-4-N-(3-fluorophenyl)-6-N-methylpyrimidine-4,6-diamine

2-tert-butyl-4-N-(3-fluorophenyl)-6-N-methylpyrimidine-4,6-diamine (PubChem CID 80955468) has the molecular formula C15H19FN4 and a molecular weight of 274.34 g/mol. Its IUPAC name is 2-tert-butyl-4-N-(3-fluorophenyl)-6-N-methylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name2-tert-butyl-4-N-(3-fluorophenyl)-6-N-methylpyrimidine-4,6-diamine
PubChem CID80955468
Molecular FormulaC15H19FN4
Molecular Weight274.34 g/mol
Exact Mass274.16
IUPAC Name2-tert-butyl-4-N-(3-fluorophenyl)-6-N-methylpyrimidine-4,6-diamine
SMILESCNc1cc(Nc2cccc(F)c2)nc(C(C)(C)C)n1
InChIInChI=1S/C15H19FN4/c1-15(2,3)14-19-12(17-4)9-13(20-14)18-11-7-5-6-10(16)8-11/h5-9H,1-4H3,(H2,17,18,19,20)
InChIKeyLXOABONJRHWAEI-UHFFFAOYSA-N
XLogP3.70
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.34
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-tert-butyl-4-N-(3,4-difluorophenyl)-6-N-methylpyrimidine-4,6-diamine
CID 80956391
2-tert-butyl-4-N-(5-fluoro-2-methylphenyl)-6-N-methylpyrimidine-4,6-diamine
CID 80955594
4-N-(3-fluorophenyl)-6-N-methylpyrimidine-4,6-diamine
CID 80760392
4-N-(3-iodophenyl)-6-N-methyl-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106770063
2-tert-butyl-6-(3-fluorophenoxy)-N-methylpyrimidin-4-amine
CID 80965315
N-(3-fluorophenyl)-6-methylpyridin-2-amine
CID 119089651
2-tert-butyl-N-(3,5-difluorophenyl)-6-hydrazinylpyrimidin-4-amine
CID 80968503
2-tert-butyl-4-N-(5-chloro-2-fluorophenyl)-6-N-methylpyrimidine-4,6-diamine
CID 80960482
2-tert-butyl-N-(3-chlorophenyl)-6-hydrazinylpyrimidin-4-amine
CID 80968809
2-N-(4-tert-butylphenyl)-4-N-(3-fluorophenyl)-6-methylpyrimidine-2,4-diamine
CID 112929285
3-N-(3-fluorophenyl)-1-N-methylbenzene-1,3-diamine
CID 117027175
2-tert-butyl-6-chloro-N-(3-methylsulfanylphenyl)pyrimidin-4-amine
CID 80948595

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-4-N-(3-fluorophenyl)-6-N-methylpyrimidine-4,6-diamine?
The IUPAC name of 2-tert-butyl-4-N-(3-fluorophenyl)-6-N-methylpyrimidine-4,6-diamine (CID 80955468) is 2-tert-butyl-4-N-(3-fluorophenyl)-6-N-methylpyrimidine-4,6-diamine.
What is the SMILES notation for 2-tert-butyl-4-N-(3-fluorophenyl)-6-N-methylpyrimidine-4,6-diamine?
The canonical SMILES for 2-tert-butyl-4-N-(3-fluorophenyl)-6-N-methylpyrimidine-4,6-diamine is CNc1cc(Nc2cccc(F)c2)nc(C(C)(C)C)n1.
What is the InChIKey of 2-tert-butyl-4-N-(3-fluorophenyl)-6-N-methylpyrimidine-4,6-diamine?
The InChIKey is LXOABONJRHWAEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN4/c1-15(2,3)14-19-12(17-4)9-13(20-14)18-11-7-5-6-10(16)8-11/h5-9H,1-4H3,(H2,17,18,19,20).
What are the key properties of 2-tert-butyl-4-N-(3-fluorophenyl)-6-N-methylpyrimidine-4,6-diamine?
2-tert-butyl-4-N-(3-fluorophenyl)-6-N-methylpyrimidine-4,6-diamine has a molecular weight of 274.34 g/mol, XLogP of 3.70, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-4-N-(3-fluorophenyl)-6-N-methylpyrimidine-4,6-diamine is sourced from PubChem (CID 80955468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).