2-N-(1,5-dimethylpyrazol-4-yl)-4-(2,2,2-trifluoroethoxy)pyrimidine-2,5-diamine

C11H13F3N6O — CID 69281487

IUPAC2-N-(1,5-dimethylpyrazol-4-yl)-4-(2,2,2-trifluoroethoxy)pyrimidine-2,5-diamine
SMILESCc1c(Nc2ncc(N)c(OCC(F)(F)F)n2)cnn1C
InChIInChI=1S/C11H13F3N6O/c1-6-8(4-17-20(6)2)18-10-16-3-7(15)9(19-10)21-5-11(12,13)14/h3-4H,5,15H2,1-2H3,(H,16,18,19)
InChIKeyNBGSUJHAQNABLQ-UHFFFAOYSA-N
MW302.26 g/mol
LogP1.79
Rot. Bonds4

About 2-N-(1,5-dimethylpyrazol-4-yl)-4-(2,2,2-trifluoroethoxy)pyrimidine-2,5-diamine

2-N-(1,5-dimethylpyrazol-4-yl)-4-(2,2,2-trifluoroethoxy)pyrimidine-2,5-diamine (PubChem CID 69281487) has the molecular formula C11H13F3N6O and a molecular weight of 302.26 g/mol. Its IUPAC name is 2-N-(1,5-dimethylpyrazol-4-yl)-4-(2,2,2-trifluoroethoxy)pyrimidine-2,5-diamine.

Molecular Properties

Compound Name2-N-(1,5-dimethylpyrazol-4-yl)-4-(2,2,2-trifluoroethoxy)pyrimidine-2,5-diamine
PubChem CID69281487
Molecular FormulaC11H13F3N6O
Molecular Weight302.26 g/mol
Exact Mass302.11
IUPAC Name2-N-(1,5-dimethylpyrazol-4-yl)-4-(2,2,2-trifluoroethoxy)pyrimidine-2,5-diamine
SMILESCc1c(Nc2ncc(N)c(OCC(F)(F)F)n2)cnn1C
InChIInChI=1S/C11H13F3N6O/c1-6-8(4-17-20(6)2)18-10-16-3-7(15)9(19-10)21-5-11(12,13)14/h3-4H,5,15H2,1-2H3,(H,16,18,19)
InChIKeyNBGSUJHAQNABLQ-UHFFFAOYSA-N
XLogP1.79
TPSA90.88 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.26
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-N-(1,5-dimethylpyrazol-4-yl)-4-(2,2,2-trifluoroethoxy)pyrimidine-2,5-diamine?
The IUPAC name of 2-N-(1,5-dimethylpyrazol-4-yl)-4-(2,2,2-trifluoroethoxy)pyrimidine-2,5-diamine (CID 69281487) is 2-N-(1,5-dimethylpyrazol-4-yl)-4-(2,2,2-trifluoroethoxy)pyrimidine-2,5-diamine.
What is the SMILES notation for 2-N-(1,5-dimethylpyrazol-4-yl)-4-(2,2,2-trifluoroethoxy)pyrimidine-2,5-diamine?
The canonical SMILES for 2-N-(1,5-dimethylpyrazol-4-yl)-4-(2,2,2-trifluoroethoxy)pyrimidine-2,5-diamine is Cc1c(Nc2ncc(N)c(OCC(F)(F)F)n2)cnn1C.
What is the InChIKey of 2-N-(1,5-dimethylpyrazol-4-yl)-4-(2,2,2-trifluoroethoxy)pyrimidine-2,5-diamine?
The InChIKey is NBGSUJHAQNABLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N6O/c1-6-8(4-17-20(6)2)18-10-16-3-7(15)9(19-10)21-5-11(12,13)14/h3-4H,5,15H2,1-2H3,(H,16,18,19).
What are the key properties of 2-N-(1,5-dimethylpyrazol-4-yl)-4-(2,2,2-trifluoroethoxy)pyrimidine-2,5-diamine?
2-N-(1,5-dimethylpyrazol-4-yl)-4-(2,2,2-trifluoroethoxy)pyrimidine-2,5-diamine has a molecular weight of 302.26 g/mol, XLogP of 1.79, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(1,5-dimethylpyrazol-4-yl)-4-(2,2,2-trifluoroethoxy)pyrimidine-2,5-diamine is sourced from PubChem (CID 69281487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).