2-(1,3-dimethylpyrazol-4-yl)-6-ethyl-N-propylpyrimidin-4-amine

C14H21N5 — CID 83092125

IUPAC2-(1,3-dimethylpyrazol-4-yl)-6-ethyl-N-propylpyrimidin-4-amine
SMILESCCCNc1cc(CC)nc(-c2cn(C)nc2C)n1
InChIInChI=1S/C14H21N5/c1-5-7-15-13-8-11(6-2)16-14(17-13)12-9-19(4)18-10(12)3/h8-9H,5-7H2,1-4H3,(H,15,16,17)
InChIKeyFQSILJMGPIXWSU-UHFFFAOYSA-N
MW259.36 g/mol
LogP2.57
Rot. Bonds5

About 2-(1,3-dimethylpyrazol-4-yl)-6-ethyl-N-propylpyrimidin-4-amine

2-(1,3-dimethylpyrazol-4-yl)-6-ethyl-N-propylpyrimidin-4-amine (PubChem CID 83092125) has the molecular formula C14H21N5 and a molecular weight of 259.36 g/mol. Its IUPAC name is 2-(1,3-dimethylpyrazol-4-yl)-6-ethyl-N-propylpyrimidin-4-amine.

Molecular Properties

Compound Name2-(1,3-dimethylpyrazol-4-yl)-6-ethyl-N-propylpyrimidin-4-amine
PubChem CID83092125
Molecular FormulaC14H21N5
Molecular Weight259.36 g/mol
Exact Mass259.18
IUPAC Name2-(1,3-dimethylpyrazol-4-yl)-6-ethyl-N-propylpyrimidin-4-amine
SMILESCCCNc1cc(CC)nc(-c2cn(C)nc2C)n1
InChIInChI=1S/C14H21N5/c1-5-7-15-13-8-11(6-2)16-14(17-13)12-9-19(4)18-10(12)3/h8-9H,5-7H2,1-4H3,(H,15,16,17)
InChIKeyFQSILJMGPIXWSU-UHFFFAOYSA-N
XLogP2.57
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.36
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dimethylpyrazol-4-yl)-6-ethyl-N-propylpyrimidin-4-amine?
The IUPAC name of 2-(1,3-dimethylpyrazol-4-yl)-6-ethyl-N-propylpyrimidin-4-amine (CID 83092125) is 2-(1,3-dimethylpyrazol-4-yl)-6-ethyl-N-propylpyrimidin-4-amine.
What is the SMILES notation for 2-(1,3-dimethylpyrazol-4-yl)-6-ethyl-N-propylpyrimidin-4-amine?
The canonical SMILES for 2-(1,3-dimethylpyrazol-4-yl)-6-ethyl-N-propylpyrimidin-4-amine is CCCNc1cc(CC)nc(-c2cn(C)nc2C)n1.
What is the InChIKey of 2-(1,3-dimethylpyrazol-4-yl)-6-ethyl-N-propylpyrimidin-4-amine?
The InChIKey is FQSILJMGPIXWSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5/c1-5-7-15-13-8-11(6-2)16-14(17-13)12-9-19(4)18-10(12)3/h8-9H,5-7H2,1-4H3,(H,15,16,17).
What are the key properties of 2-(1,3-dimethylpyrazol-4-yl)-6-ethyl-N-propylpyrimidin-4-amine?
2-(1,3-dimethylpyrazol-4-yl)-6-ethyl-N-propylpyrimidin-4-amine has a molecular weight of 259.36 g/mol, XLogP of 2.57, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dimethylpyrazol-4-yl)-6-ethyl-N-propylpyrimidin-4-amine is sourced from PubChem (CID 83092125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).