6-methyl-2-N-(4-methyl-1H-pyrazol-5-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine

C10H11F3N6 — CID 131984430

IUPAC6-methyl-2-N-(4-methyl-1H-pyrazol-5-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine
SMILESCc1cn[nH]c1Nc1nc(C)c(C(F)(F)F)c(N)n1
InChIInChI=1S/C10H11F3N6/c1-4-3-15-19-8(4)18-9-16-5(2)6(7(14)17-9)10(11,12)13/h3H,1-2H3,(H4,14,15,16,17,18,19)
InChIKeyXQKUUAQTBBLGGX-UHFFFAOYSA-N
MW272.23 g/mol
LogP2.16
Rot. Bonds2

About 6-methyl-2-N-(4-methyl-1H-pyrazol-5-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine

6-methyl-2-N-(4-methyl-1H-pyrazol-5-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine (PubChem CID 131984430) has the molecular formula C10H11F3N6 and a molecular weight of 272.23 g/mol. Its IUPAC name is 6-methyl-2-N-(4-methyl-1H-pyrazol-5-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-methyl-2-N-(4-methyl-1H-pyrazol-5-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine
PubChem CID131984430
Molecular FormulaC10H11F3N6
Molecular Weight272.23 g/mol
Exact Mass272.10
IUPAC Name6-methyl-2-N-(4-methyl-1H-pyrazol-5-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine
SMILESCc1cn[nH]c1Nc1nc(C)c(C(F)(F)F)c(N)n1
InChIInChI=1S/C10H11F3N6/c1-4-3-15-19-8(4)18-9-16-5(2)6(7(14)17-9)10(11,12)13/h3H,1-2H3,(H4,14,15,16,17,18,19)
InChIKeyXQKUUAQTBBLGGX-UHFFFAOYSA-N
XLogP2.16
TPSA92.51 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.23
LogP ≤ 52.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-N-(4-methyl-1H-pyrazol-5-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine?
The IUPAC name of 6-methyl-2-N-(4-methyl-1H-pyrazol-5-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine (CID 131984430) is 6-methyl-2-N-(4-methyl-1H-pyrazol-5-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 6-methyl-2-N-(4-methyl-1H-pyrazol-5-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine?
The canonical SMILES for 6-methyl-2-N-(4-methyl-1H-pyrazol-5-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine is Cc1cn[nH]c1Nc1nc(C)c(C(F)(F)F)c(N)n1.
What is the InChIKey of 6-methyl-2-N-(4-methyl-1H-pyrazol-5-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine?
The InChIKey is XQKUUAQTBBLGGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N6/c1-4-3-15-19-8(4)18-9-16-5(2)6(7(14)17-9)10(11,12)13/h3H,1-2H3,(H4,14,15,16,17,18,19).
What are the key properties of 6-methyl-2-N-(4-methyl-1H-pyrazol-5-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine?
6-methyl-2-N-(4-methyl-1H-pyrazol-5-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine has a molecular weight of 272.23 g/mol, XLogP of 2.16, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-N-(4-methyl-1H-pyrazol-5-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 131984430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).