4-N-(3-methylbutan-2-yl)-2-(trifluoromethyl)pyrimidine-4,6-diamine

C10H15F3N4 — CID 106769922

IUPAC4-N-(3-methylbutan-2-yl)-2-(trifluoromethyl)pyrimidine-4,6-diamine
SMILESCC(C)C(C)Nc1cc(N)nc(C(F)(F)F)n1
InChIInChI=1S/C10H15F3N4/c1-5(2)6(3)15-8-4-7(14)16-9(17-8)10(11,12)13/h4-6H,1-3H3,(H3,14,15,16,17)
InChIKeyNIZCKQFHTPQELK-UHFFFAOYSA-N
MW248.25 g/mol
LogP2.53
Rot. Bonds3

About 4-N-(3-methylbutan-2-yl)-2-(trifluoromethyl)pyrimidine-4,6-diamine

4-N-(3-methylbutan-2-yl)-2-(trifluoromethyl)pyrimidine-4,6-diamine (PubChem CID 106769922) has the molecular formula C10H15F3N4 and a molecular weight of 248.25 g/mol. Its IUPAC name is 4-N-(3-methylbutan-2-yl)-2-(trifluoromethyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(3-methylbutan-2-yl)-2-(trifluoromethyl)pyrimidine-4,6-diamine
PubChem CID106769922
Molecular FormulaC10H15F3N4
Molecular Weight248.25 g/mol
Exact Mass248.12
IUPAC Name4-N-(3-methylbutan-2-yl)-2-(trifluoromethyl)pyrimidine-4,6-diamine
SMILESCC(C)C(C)Nc1cc(N)nc(C(F)(F)F)n1
InChIInChI=1S/C10H15F3N4/c1-5(2)6(3)15-8-4-7(14)16-9(17-8)10(11,12)13/h4-6H,1-3H3,(H3,14,15,16,17)
InChIKeyNIZCKQFHTPQELK-UHFFFAOYSA-N
XLogP2.53
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.25
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-chloro-N-(3-methylbutan-2-yl)-2-(trifluoromethyl)pyrimidin-4-amine
CID 106766912
4-N-[1-(4-methylphenyl)ethyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106771303
2-[[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]amino]propane-1,3-diol
CID 106772304
1-[[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]amino]-3-methylbutan-2-ol
CID 106773118
4-N-(3-methylbutan-2-yl)-2-propan-2-ylpyrimidine-4,6-diamine
CID 80955801
4-N-[1-(oxolan-2-yl)ethyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106770784
2-[[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]amino]-3-methoxypropan-1-ol
CID 114157114
2-[[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]amino]-N-ethyl-N-methylpropanamide
CID 106773392
4-N-(2-methoxypropyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106773341
4-N-[2-[methyl(propan-2-yl)amino]ethyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106771783
N-(3-ethylpentan-2-yl)-6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-amine
CID 106775723
2-[[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]amino]-2-phenylethanol
CID 106771905

Frequently Asked Questions

What is the IUPAC name of 4-N-(3-methylbutan-2-yl)-2-(trifluoromethyl)pyrimidine-4,6-diamine?
The IUPAC name of 4-N-(3-methylbutan-2-yl)-2-(trifluoromethyl)pyrimidine-4,6-diamine (CID 106769922) is 4-N-(3-methylbutan-2-yl)-2-(trifluoromethyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(3-methylbutan-2-yl)-2-(trifluoromethyl)pyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(3-methylbutan-2-yl)-2-(trifluoromethyl)pyrimidine-4,6-diamine is CC(C)C(C)Nc1cc(N)nc(C(F)(F)F)n1.
What is the InChIKey of 4-N-(3-methylbutan-2-yl)-2-(trifluoromethyl)pyrimidine-4,6-diamine?
The InChIKey is NIZCKQFHTPQELK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N4/c1-5(2)6(3)15-8-4-7(14)16-9(17-8)10(11,12)13/h4-6H,1-3H3,(H3,14,15,16,17).
What are the key properties of 4-N-(3-methylbutan-2-yl)-2-(trifluoromethyl)pyrimidine-4,6-diamine?
4-N-(3-methylbutan-2-yl)-2-(trifluoromethyl)pyrimidine-4,6-diamine has a molecular weight of 248.25 g/mol, XLogP of 2.53, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3-methylbutan-2-yl)-2-(trifluoromethyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 106769922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).