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

C16H25N5 — CID 62203983

IUPAC5-ethyl-6-methyl-N-propyl-2-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-4-amine
SMILESCCCNc1nc(-c2c(C)nn(C)c2C)nc(C)c1CC
InChIInChI=1S/C16H25N5/c1-7-9-17-15-13(8-2)10(3)18-16(19-15)14-11(4)20-21(6)12(14)5/h7-9H2,1-6H3,(H,17,18,19)
InChIKeyODXITLQMRXPTJS-UHFFFAOYSA-N
MW287.41 g/mol
LogP3.19
Rot. Bonds5

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

5-ethyl-6-methyl-N-propyl-2-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-4-amine (PubChem CID 62203983) has the molecular formula C16H25N5 and a molecular weight of 287.41 g/mol. Its IUPAC name is 5-ethyl-6-methyl-N-propyl-2-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name5-ethyl-6-methyl-N-propyl-2-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-4-amine
PubChem CID62203983
Molecular FormulaC16H25N5
Molecular Weight287.41 g/mol
Exact Mass287.21
IUPAC Name5-ethyl-6-methyl-N-propyl-2-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-4-amine
SMILESCCCNc1nc(-c2c(C)nn(C)c2C)nc(C)c1CC
InChIInChI=1S/C16H25N5/c1-7-9-17-15-13(8-2)10(3)18-16(19-15)14-11(4)20-21(6)12(14)5/h7-9H2,1-6H3,(H,17,18,19)
InChIKeyODXITLQMRXPTJS-UHFFFAOYSA-N
XLogP3.19
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-6-methyl-N-propyl-2-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-4-amine?
The IUPAC name of 5-ethyl-6-methyl-N-propyl-2-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-4-amine (CID 62203983) is 5-ethyl-6-methyl-N-propyl-2-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-4-amine.
What is the SMILES notation for 5-ethyl-6-methyl-N-propyl-2-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-4-amine?
The canonical SMILES for 5-ethyl-6-methyl-N-propyl-2-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-4-amine is CCCNc1nc(-c2c(C)nn(C)c2C)nc(C)c1CC.
What is the InChIKey of 5-ethyl-6-methyl-N-propyl-2-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-4-amine?
The InChIKey is ODXITLQMRXPTJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N5/c1-7-9-17-15-13(8-2)10(3)18-16(19-15)14-11(4)20-21(6)12(14)5/h7-9H2,1-6H3,(H,17,18,19).
What are the key properties of 5-ethyl-6-methyl-N-propyl-2-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-4-amine?
5-ethyl-6-methyl-N-propyl-2-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-4-amine has a molecular weight of 287.41 g/mol, XLogP of 3.19, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-6-methyl-N-propyl-2-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-4-amine is sourced from PubChem (CID 62203983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).