4-(difluoromethyl)-6-(1-ethyl-5-methylpyrazol-4-yl)-N-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-2-amine

C17H21F2N7 — CID 44821754

IUPAC4-(difluoromethyl)-6-(1-ethyl-5-methylpyrazol-4-yl)-N-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-2-amine
SMILESCCn1ncc(-c2cc(C(F)F)nc(Nc3c(C)nn(C)c3C)n2)c1C
InChIInChI=1S/C17H21F2N7/c1-6-26-10(3)12(8-20-26)13-7-14(16(18)19)22-17(21-13)23-15-9(2)24-25(5)11(15)4/h7-8,16H,6H2,1-5H3,(H,21,22,23)
InChIKeyPEXLCAAZGGZRSZ-UHFFFAOYSA-N
MW361.40 g/mol
LogP3.70
Rot. Bonds5

About 4-(difluoromethyl)-6-(1-ethyl-5-methylpyrazol-4-yl)-N-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-2-amine

4-(difluoromethyl)-6-(1-ethyl-5-methylpyrazol-4-yl)-N-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-2-amine (PubChem CID 44821754) has the molecular formula C17H21F2N7 and a molecular weight of 361.40 g/mol. Its IUPAC name is 4-(difluoromethyl)-6-(1-ethyl-5-methylpyrazol-4-yl)-N-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-(difluoromethyl)-6-(1-ethyl-5-methylpyrazol-4-yl)-N-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-2-amine
PubChem CID44821754
Molecular FormulaC17H21F2N7
Molecular Weight361.40 g/mol
Exact Mass361.18
IUPAC Name4-(difluoromethyl)-6-(1-ethyl-5-methylpyrazol-4-yl)-N-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-2-amine
SMILESCCn1ncc(-c2cc(C(F)F)nc(Nc3c(C)nn(C)c3C)n2)c1C
InChIInChI=1S/C17H21F2N7/c1-6-26-10(3)12(8-20-26)13-7-14(16(18)19)22-17(21-13)23-15-9(2)24-25(5)11(15)4/h7-8,16H,6H2,1-5H3,(H,21,22,23)
InChIKeyPEXLCAAZGGZRSZ-UHFFFAOYSA-N
XLogP3.70
TPSA73.45 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.40
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethyl)-6-(1-ethyl-5-methylpyrazol-4-yl)-N-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-2-amine?
The IUPAC name of 4-(difluoromethyl)-6-(1-ethyl-5-methylpyrazol-4-yl)-N-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-2-amine (CID 44821754) is 4-(difluoromethyl)-6-(1-ethyl-5-methylpyrazol-4-yl)-N-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-2-amine.
What is the SMILES notation for 4-(difluoromethyl)-6-(1-ethyl-5-methylpyrazol-4-yl)-N-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-2-amine?
The canonical SMILES for 4-(difluoromethyl)-6-(1-ethyl-5-methylpyrazol-4-yl)-N-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-2-amine is CCn1ncc(-c2cc(C(F)F)nc(Nc3c(C)nn(C)c3C)n2)c1C.
What is the InChIKey of 4-(difluoromethyl)-6-(1-ethyl-5-methylpyrazol-4-yl)-N-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-2-amine?
The InChIKey is PEXLCAAZGGZRSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21F2N7/c1-6-26-10(3)12(8-20-26)13-7-14(16(18)19)22-17(21-13)23-15-9(2)24-25(5)11(15)4/h7-8,16H,6H2,1-5H3,(H,21,22,23).
What are the key properties of 4-(difluoromethyl)-6-(1-ethyl-5-methylpyrazol-4-yl)-N-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-2-amine?
4-(difluoromethyl)-6-(1-ethyl-5-methylpyrazol-4-yl)-N-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-2-amine has a molecular weight of 361.40 g/mol, XLogP of 3.70, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethyl)-6-(1-ethyl-5-methylpyrazol-4-yl)-N-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-2-amine is sourced from PubChem (CID 44821754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).