4-N-(2,2-difluoroethyl)-2-N-(1,5-dimethylpyrazol-4-yl)pyrimidine-2,4,5-triamine

C11H15F2N7 — CID 87765469

IUPAC4-N-(2,2-difluoroethyl)-2-N-(1,5-dimethylpyrazol-4-yl)pyrimidine-2,4,5-triamine
SMILESCc1c(Nc2ncc(N)c(NCC(F)F)n2)cnn1C
InChIInChI=1S/C11H15F2N7/c1-6-8(4-17-20(6)2)18-11-16-3-7(14)10(19-11)15-5-9(12)13/h3-4,9H,5,14H2,1-2H3,(H2,15,16,18,19)
InChIKeyWJHTVNCSCXCZJN-UHFFFAOYSA-N
MW283.29 g/mol
LogP1.52
Rot. Bonds5

About 4-N-(2,2-difluoroethyl)-2-N-(1,5-dimethylpyrazol-4-yl)pyrimidine-2,4,5-triamine

4-N-(2,2-difluoroethyl)-2-N-(1,5-dimethylpyrazol-4-yl)pyrimidine-2,4,5-triamine (PubChem CID 87765469) has the molecular formula C11H15F2N7 and a molecular weight of 283.29 g/mol. Its IUPAC name is 4-N-(2,2-difluoroethyl)-2-N-(1,5-dimethylpyrazol-4-yl)pyrimidine-2,4,5-triamine.

Molecular Properties

Compound Name4-N-(2,2-difluoroethyl)-2-N-(1,5-dimethylpyrazol-4-yl)pyrimidine-2,4,5-triamine
PubChem CID87765469
Molecular FormulaC11H15F2N7
Molecular Weight283.29 g/mol
Exact Mass283.14
IUPAC Name4-N-(2,2-difluoroethyl)-2-N-(1,5-dimethylpyrazol-4-yl)pyrimidine-2,4,5-triamine
SMILESCc1c(Nc2ncc(N)c(NCC(F)F)n2)cnn1C
InChIInChI=1S/C11H15F2N7/c1-6-8(4-17-20(6)2)18-11-16-3-7(14)10(19-11)15-5-9(12)13/h3-4,9H,5,14H2,1-2H3,(H2,15,16,18,19)
InChIKeyWJHTVNCSCXCZJN-UHFFFAOYSA-N
XLogP1.52
TPSA93.68 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.29
LogP ≤ 51.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-N-(2,2-difluoroethyl)-2-N-(1,5-dimethylpyrazol-4-yl)pyrimidine-2,4,5-triamine?
The IUPAC name of 4-N-(2,2-difluoroethyl)-2-N-(1,5-dimethylpyrazol-4-yl)pyrimidine-2,4,5-triamine (CID 87765469) is 4-N-(2,2-difluoroethyl)-2-N-(1,5-dimethylpyrazol-4-yl)pyrimidine-2,4,5-triamine.
What is the SMILES notation for 4-N-(2,2-difluoroethyl)-2-N-(1,5-dimethylpyrazol-4-yl)pyrimidine-2,4,5-triamine?
The canonical SMILES for 4-N-(2,2-difluoroethyl)-2-N-(1,5-dimethylpyrazol-4-yl)pyrimidine-2,4,5-triamine is Cc1c(Nc2ncc(N)c(NCC(F)F)n2)cnn1C.
What is the InChIKey of 4-N-(2,2-difluoroethyl)-2-N-(1,5-dimethylpyrazol-4-yl)pyrimidine-2,4,5-triamine?
The InChIKey is WJHTVNCSCXCZJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F2N7/c1-6-8(4-17-20(6)2)18-11-16-3-7(14)10(19-11)15-5-9(12)13/h3-4,9H,5,14H2,1-2H3,(H2,15,16,18,19).
What are the key properties of 4-N-(2,2-difluoroethyl)-2-N-(1,5-dimethylpyrazol-4-yl)pyrimidine-2,4,5-triamine?
4-N-(2,2-difluoroethyl)-2-N-(1,5-dimethylpyrazol-4-yl)pyrimidine-2,4,5-triamine has a molecular weight of 283.29 g/mol, XLogP of 1.52, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2,2-difluoroethyl)-2-N-(1,5-dimethylpyrazol-4-yl)pyrimidine-2,4,5-triamine is sourced from PubChem (CID 87765469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).