4-methyl-5-[1-(trifluoromethyl)pyrazol-4-yl]-1H-pyrimidine-2,4-diamine

C9H11F3N6 — CID 151949840

IUPAC4-methyl-5-[1-(trifluoromethyl)pyrazol-4-yl]-1H-pyrimidine-2,4-diamine
SMILESCC1(N)N=C(N)NC=C1c1cnn(C(F)(F)F)c1
InChIInChI=1S/C9H11F3N6/c1-8(14)6(3-15-7(13)17-8)5-2-16-18(4-5)9(10,11)12/h2-4H,14H2,1H3,(H3,13,15,17)
InChIKeyTWKKBTBJRKSSQA-UHFFFAOYSA-N
MW260.22 g/mol
LogP0.29
Rot. Bonds1

About 4-methyl-5-[1-(trifluoromethyl)pyrazol-4-yl]-1H-pyrimidine-2,4-diamine

4-methyl-5-[1-(trifluoromethyl)pyrazol-4-yl]-1H-pyrimidine-2,4-diamine (PubChem CID 151949840) has the molecular formula C9H11F3N6 and a molecular weight of 260.22 g/mol. Its IUPAC name is 4-methyl-5-[1-(trifluoromethyl)pyrazol-4-yl]-1H-pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-methyl-5-[1-(trifluoromethyl)pyrazol-4-yl]-1H-pyrimidine-2,4-diamine
PubChem CID151949840
Molecular FormulaC9H11F3N6
Molecular Weight260.22 g/mol
Exact Mass260.10
IUPAC Name4-methyl-5-[1-(trifluoromethyl)pyrazol-4-yl]-1H-pyrimidine-2,4-diamine
SMILESCC1(N)N=C(N)NC=C1c1cnn(C(F)(F)F)c1
InChIInChI=1S/C9H11F3N6/c1-8(14)6(3-15-7(13)17-8)5-2-16-18(4-5)9(10,11)12/h2-4H,14H2,1H3,(H3,13,15,17)
InChIKeyTWKKBTBJRKSSQA-UHFFFAOYSA-N
XLogP0.29
TPSA94.25 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.22
LogP ≤ 50.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

[3-Fluoro-5-(1-methylpyrazol-4-yl)-3,4-dihydropyridin-2-yl]hydrazine
CID 123517826
4-(1-methylpyrazol-4-yl)-5-(trifluoromethyl)-1H-pyrimidine-2,4-diamine
CID 172731525
(1S)-3,3,3-trifluoro-1-(1-methylpyrazol-4-yl)propan-1-amine
CID 28975172
(1R)-3,3,3-trifluoro-1-(1-methylpyrazol-4-yl)propan-1-amine
CID 28975175
3,3,3-Trifluoro-1-(1-methyl-1H-pyrazol-4-yl)propan-1-amine
CID 43124237
2,2,3,3,3-pentafluoro-N-methyl-1-(1-methylpyrazol-4-yl)propan-1-amine
CID 43485857
3,3,3-trifluoro-N-methyl-1-(1-methylpyrazol-4-yl)propan-1-amine
CID 43485962
N-ethyl-2,2,3,3,3-pentafluoro-1-(1-methylpyrazol-4-yl)propan-1-amine
CID 43492384
N-ethyl-3,3,3-trifluoro-1-(1-methylpyrazol-4-yl)propan-1-amine
CID 43492488
2,2,3,3,3-pentafluoro-1-(1-methylpyrazol-4-yl)-N-propylpropan-1-amine
CID 43497236
3,3,3-trifluoro-1-(1-methylpyrazol-4-yl)-N-propylpropan-1-amine
CID 43497339
N-ethyl-1-(1-ethylpyrazol-4-yl)-4,4,4-trifluorobutan-2-amine
CID 55040337

Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-[1-(trifluoromethyl)pyrazol-4-yl]-1H-pyrimidine-2,4-diamine?
The IUPAC name of 4-methyl-5-[1-(trifluoromethyl)pyrazol-4-yl]-1H-pyrimidine-2,4-diamine (CID 151949840) is 4-methyl-5-[1-(trifluoromethyl)pyrazol-4-yl]-1H-pyrimidine-2,4-diamine.
What is the SMILES notation for 4-methyl-5-[1-(trifluoromethyl)pyrazol-4-yl]-1H-pyrimidine-2,4-diamine?
The canonical SMILES for 4-methyl-5-[1-(trifluoromethyl)pyrazol-4-yl]-1H-pyrimidine-2,4-diamine is CC1(N)N=C(N)NC=C1c1cnn(C(F)(F)F)c1.
What is the InChIKey of 4-methyl-5-[1-(trifluoromethyl)pyrazol-4-yl]-1H-pyrimidine-2,4-diamine?
The InChIKey is TWKKBTBJRKSSQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F3N6/c1-8(14)6(3-15-7(13)17-8)5-2-16-18(4-5)9(10,11)12/h2-4H,14H2,1H3,(H3,13,15,17).
What are the key properties of 4-methyl-5-[1-(trifluoromethyl)pyrazol-4-yl]-1H-pyrimidine-2,4-diamine?
4-methyl-5-[1-(trifluoromethyl)pyrazol-4-yl]-1H-pyrimidine-2,4-diamine has a molecular weight of 260.22 g/mol, XLogP of 0.29, 1 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-[1-(trifluoromethyl)pyrazol-4-yl]-1H-pyrimidine-2,4-diamine is sourced from PubChem (CID 151949840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).