6-methyl-2-N-[3-methyl-1-[2-(1-methylpyrazol-3-yl)propan-2-yl]pyrazol-4-yl]-5-(trifluoromethyl)pyrimidine-2,4-diamine

C17H21F3N8 — CID 131984389

IUPAC6-methyl-2-N-[3-methyl-1-[2-(1-methylpyrazol-3-yl)propan-2-yl]pyrazol-4-yl]-5-(trifluoromethyl)pyrimidine-2,4-diamine
SMILESCc1nn(C(C)(C)c2ccn(C)n2)cc1Nc1nc(C)c(C(F)(F)F)c(N)n1
InChIInChI=1S/C17H21F3N8/c1-9-11(8-28(25-9)16(3,4)12-6-7-27(5)26-12)23-15-22-10(2)13(14(21)24-15)17(18,19)20/h6-8H,1-5H3,(H3,21,22,23,24)
InChIKeyTWSSADXAOJPJHU-UHFFFAOYSA-N
MW394.41 g/mol
LogP3.15
Rot. Bonds4

About 6-methyl-2-N-[3-methyl-1-[2-(1-methylpyrazol-3-yl)propan-2-yl]pyrazol-4-yl]-5-(trifluoromethyl)pyrimidine-2,4-diamine

6-methyl-2-N-[3-methyl-1-[2-(1-methylpyrazol-3-yl)propan-2-yl]pyrazol-4-yl]-5-(trifluoromethyl)pyrimidine-2,4-diamine (PubChem CID 131984389) has the molecular formula C17H21F3N8 and a molecular weight of 394.41 g/mol. Its IUPAC name is 6-methyl-2-N-[3-methyl-1-[2-(1-methylpyrazol-3-yl)propan-2-yl]pyrazol-4-yl]-5-(trifluoromethyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-methyl-2-N-[3-methyl-1-[2-(1-methylpyrazol-3-yl)propan-2-yl]pyrazol-4-yl]-5-(trifluoromethyl)pyrimidine-2,4-diamine
PubChem CID131984389
Molecular FormulaC17H21F3N8
Molecular Weight394.41 g/mol
Exact Mass394.18
IUPAC Name6-methyl-2-N-[3-methyl-1-[2-(1-methylpyrazol-3-yl)propan-2-yl]pyrazol-4-yl]-5-(trifluoromethyl)pyrimidine-2,4-diamine
SMILESCc1nn(C(C)(C)c2ccn(C)n2)cc1Nc1nc(C)c(C(F)(F)F)c(N)n1
InChIInChI=1S/C17H21F3N8/c1-9-11(8-28(25-9)16(3,4)12-6-7-27(5)26-12)23-15-22-10(2)13(14(21)24-15)17(18,19)20/h6-8H,1-5H3,(H3,21,22,23,24)
InChIKeyTWSSADXAOJPJHU-UHFFFAOYSA-N
XLogP3.15
TPSA99.47 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.41
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-N-[3-methyl-1-[2-(1-methylpyrazol-3-yl)propan-2-yl]pyrazol-4-yl]-5-(trifluoromethyl)pyrimidine-2,4-diamine?
The IUPAC name of 6-methyl-2-N-[3-methyl-1-[2-(1-methylpyrazol-3-yl)propan-2-yl]pyrazol-4-yl]-5-(trifluoromethyl)pyrimidine-2,4-diamine (CID 131984389) is 6-methyl-2-N-[3-methyl-1-[2-(1-methylpyrazol-3-yl)propan-2-yl]pyrazol-4-yl]-5-(trifluoromethyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 6-methyl-2-N-[3-methyl-1-[2-(1-methylpyrazol-3-yl)propan-2-yl]pyrazol-4-yl]-5-(trifluoromethyl)pyrimidine-2,4-diamine?
The canonical SMILES for 6-methyl-2-N-[3-methyl-1-[2-(1-methylpyrazol-3-yl)propan-2-yl]pyrazol-4-yl]-5-(trifluoromethyl)pyrimidine-2,4-diamine is Cc1nn(C(C)(C)c2ccn(C)n2)cc1Nc1nc(C)c(C(F)(F)F)c(N)n1.
What is the InChIKey of 6-methyl-2-N-[3-methyl-1-[2-(1-methylpyrazol-3-yl)propan-2-yl]pyrazol-4-yl]-5-(trifluoromethyl)pyrimidine-2,4-diamine?
The InChIKey is TWSSADXAOJPJHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21F3N8/c1-9-11(8-28(25-9)16(3,4)12-6-7-27(5)26-12)23-15-22-10(2)13(14(21)24-15)17(18,19)20/h6-8H,1-5H3,(H3,21,22,23,24).
What are the key properties of 6-methyl-2-N-[3-methyl-1-[2-(1-methylpyrazol-3-yl)propan-2-yl]pyrazol-4-yl]-5-(trifluoromethyl)pyrimidine-2,4-diamine?
6-methyl-2-N-[3-methyl-1-[2-(1-methylpyrazol-3-yl)propan-2-yl]pyrazol-4-yl]-5-(trifluoromethyl)pyrimidine-2,4-diamine has a molecular weight of 394.41 g/mol, XLogP of 3.15, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-N-[3-methyl-1-[2-(1-methylpyrazol-3-yl)propan-2-yl]pyrazol-4-yl]-5-(trifluoromethyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 131984389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).