4-(1-methylpyrazol-4-yl)-5-(trifluoromethyl)-1H-pyrimidine-2,4-diamine

C9H11F3N6 — CID 172731525

IUPAC4-(1-methylpyrazol-4-yl)-5-(trifluoromethyl)-1H-pyrimidine-2,4-diamine
SMILESCn1cc(C2(N)N=C(N)NC=C2C(F)(F)F)cn1
InChIInChI=1S/C9H11F3N6/c1-18-4-5(2-16-18)8(14)6(9(10,11)12)3-15-7(13)17-8/h2-4H,14H2,1H3,(H3,13,15,17)
InChIKeyHVZDKVHPQISPDB-UHFFFAOYSA-N
MW260.22 g/mol
LogP-0.10
Rot. Bonds1

About 4-(1-methylpyrazol-4-yl)-5-(trifluoromethyl)-1H-pyrimidine-2,4-diamine

4-(1-methylpyrazol-4-yl)-5-(trifluoromethyl)-1H-pyrimidine-2,4-diamine (PubChem CID 172731525) has the molecular formula C9H11F3N6 and a molecular weight of 260.22 g/mol. Its IUPAC name is 4-(1-methylpyrazol-4-yl)-5-(trifluoromethyl)-1H-pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-(1-methylpyrazol-4-yl)-5-(trifluoromethyl)-1H-pyrimidine-2,4-diamine
PubChem CID172731525
Molecular FormulaC9H11F3N6
Molecular Weight260.22 g/mol
Exact Mass260.10
IUPAC Name4-(1-methylpyrazol-4-yl)-5-(trifluoromethyl)-1H-pyrimidine-2,4-diamine
SMILESCn1cc(C2(N)N=C(N)NC=C2C(F)(F)F)cn1
InChIInChI=1S/C9H11F3N6/c1-18-4-5(2-16-18)8(14)6(9(10,11)12)3-15-7(13)17-8/h2-4H,14H2,1H3,(H3,13,15,17)
InChIKeyHVZDKVHPQISPDB-UHFFFAOYSA-N
XLogP-0.10
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 ≤ 5-0.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 4-(1-methylpyrazol-4-yl)-5-(trifluoromethyl)-1H-pyrimidine-2,4-diamine?
The IUPAC name of 4-(1-methylpyrazol-4-yl)-5-(trifluoromethyl)-1H-pyrimidine-2,4-diamine (CID 172731525) is 4-(1-methylpyrazol-4-yl)-5-(trifluoromethyl)-1H-pyrimidine-2,4-diamine.
What is the SMILES notation for 4-(1-methylpyrazol-4-yl)-5-(trifluoromethyl)-1H-pyrimidine-2,4-diamine?
The canonical SMILES for 4-(1-methylpyrazol-4-yl)-5-(trifluoromethyl)-1H-pyrimidine-2,4-diamine is Cn1cc(C2(N)N=C(N)NC=C2C(F)(F)F)cn1.
What is the InChIKey of 4-(1-methylpyrazol-4-yl)-5-(trifluoromethyl)-1H-pyrimidine-2,4-diamine?
The InChIKey is HVZDKVHPQISPDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F3N6/c1-18-4-5(2-16-18)8(14)6(9(10,11)12)3-15-7(13)17-8/h2-4H,14H2,1H3,(H3,13,15,17).
What are the key properties of 4-(1-methylpyrazol-4-yl)-5-(trifluoromethyl)-1H-pyrimidine-2,4-diamine?
4-(1-methylpyrazol-4-yl)-5-(trifluoromethyl)-1H-pyrimidine-2,4-diamine has a molecular weight of 260.22 g/mol, XLogP of -0.10, 1 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-methylpyrazol-4-yl)-5-(trifluoromethyl)-1H-pyrimidine-2,4-diamine is sourced from PubChem (CID 172731525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).