4-N-[(1-methylpyrazol-3-yl)methyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine

C10H11F3N6 — CID 106772704

IUPAC4-N-[(1-methylpyrazol-3-yl)methyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine
SMILESCn1ccc(CNc2cc(N)nc(C(F)(F)F)n2)n1
InChIInChI=1S/C10H11F3N6/c1-19-3-2-6(18-19)5-15-8-4-7(14)16-9(17-8)10(11,12)13/h2-4H,5H2,1H3,(H3,14,15,16,17)
InChIKeyYVXJZKNPUVTUBL-UHFFFAOYSA-N
MW272.23 g/mol
LogP1.42
Rot. Bonds3

About 4-N-[(1-methylpyrazol-3-yl)methyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine

4-N-[(1-methylpyrazol-3-yl)methyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine (PubChem CID 106772704) has the molecular formula C10H11F3N6 and a molecular weight of 272.23 g/mol. Its IUPAC name is 4-N-[(1-methylpyrazol-3-yl)methyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-[(1-methylpyrazol-3-yl)methyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine
PubChem CID106772704
Molecular FormulaC10H11F3N6
Molecular Weight272.23 g/mol
Exact Mass272.10
IUPAC Name4-N-[(1-methylpyrazol-3-yl)methyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine
SMILESCn1ccc(CNc2cc(N)nc(C(F)(F)F)n2)n1
InChIInChI=1S/C10H11F3N6/c1-19-3-2-6(18-19)5-15-8-4-7(14)16-9(17-8)10(11,12)13/h2-4H,5H2,1H3,(H3,14,15,16,17)
InChIKeyYVXJZKNPUVTUBL-UHFFFAOYSA-N
XLogP1.42
TPSA81.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.23
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-tert-butyl-6-hydrazinyl-N-[(1-methylpyrazol-3-yl)methyl]pyrimidin-4-amine
CID 82874800
2-chloro-N-[(1-methylpyrazol-3-yl)methyl]-6-(trifluoromethyl)pyrimidin-4-amine
CID 114562824
6-chloro-2-N-[(1-methylpyrazol-3-yl)methyl]pyridine-2,4-diamine
CID 104925117
4-N-[(4-methoxyphenyl)methyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106770439
4-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106304450
4-N-[(2-fluorophenyl)methyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106770518
6-chloro-2-methyl-N-[(1-methylpyrazol-3-yl)methyl]pyrimidin-4-amine
CID 82873713
2-methyl-4-N-[2-(1-methylpyrazol-3-yl)ethyl]pyrimidine-4,6-diamine
CID 106106755
4-N-(1,2-oxazol-5-ylmethyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106424494
4-N-[(1-methylpyrazol-3-yl)methyl]benzene-1,4-diamine
CID 82882084
6-N-ethyl-4-N-(1-methylpyrazol-3-yl)-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106772484
4-N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106770425

Frequently Asked Questions

What is the IUPAC name of 4-N-[(1-methylpyrazol-3-yl)methyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine?
The IUPAC name of 4-N-[(1-methylpyrazol-3-yl)methyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine (CID 106772704) is 4-N-[(1-methylpyrazol-3-yl)methyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-[(1-methylpyrazol-3-yl)methyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine?
The canonical SMILES for 4-N-[(1-methylpyrazol-3-yl)methyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine is Cn1ccc(CNc2cc(N)nc(C(F)(F)F)n2)n1.
What is the InChIKey of 4-N-[(1-methylpyrazol-3-yl)methyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine?
The InChIKey is YVXJZKNPUVTUBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N6/c1-19-3-2-6(18-19)5-15-8-4-7(14)16-9(17-8)10(11,12)13/h2-4H,5H2,1H3,(H3,14,15,16,17).
What are the key properties of 4-N-[(1-methylpyrazol-3-yl)methyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine?
4-N-[(1-methylpyrazol-3-yl)methyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine has a molecular weight of 272.23 g/mol, XLogP of 1.42, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(1-methylpyrazol-3-yl)methyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 106772704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).