5-ethyl-N,2-dimethyl-N-[3-(1-methylpyrazol-4-yl)propyl]pyrimidin-4-amine

C15H23N5 — CID 50976962

IUPAC5-ethyl-N,2-dimethyl-N-[3-(1-methylpyrazol-4-yl)propyl]pyrimidin-4-amine
SMILESCCc1cnc(C)nc1N(C)CCCc1cnn(C)c1
InChIInChI=1S/C15H23N5/c1-5-14-10-16-12(2)18-15(14)19(3)8-6-7-13-9-17-20(4)11-13/h9-11H,5-8H2,1-4H3
InChIKeyHVKXSQHVKWVESB-UHFFFAOYSA-N
MW273.38 g/mol
LogP2.15
Rot. Bonds6

About 5-ethyl-N,2-dimethyl-N-[3-(1-methylpyrazol-4-yl)propyl]pyrimidin-4-amine

5-ethyl-N,2-dimethyl-N-[3-(1-methylpyrazol-4-yl)propyl]pyrimidin-4-amine (PubChem CID 50976962) has the molecular formula C15H23N5 and a molecular weight of 273.38 g/mol. Its IUPAC name is 5-ethyl-N,2-dimethyl-N-[3-(1-methylpyrazol-4-yl)propyl]pyrimidin-4-amine.

Molecular Properties

Compound Name5-ethyl-N,2-dimethyl-N-[3-(1-methylpyrazol-4-yl)propyl]pyrimidin-4-amine
PubChem CID50976962
Molecular FormulaC15H23N5
Molecular Weight273.38 g/mol
Exact Mass273.20
IUPAC Name5-ethyl-N,2-dimethyl-N-[3-(1-methylpyrazol-4-yl)propyl]pyrimidin-4-amine
SMILESCCc1cnc(C)nc1N(C)CCCc1cnn(C)c1
InChIInChI=1S/C15H23N5/c1-5-14-10-16-12(2)18-15(14)19(3)8-6-7-13-9-17-20(4)11-13/h9-11H,5-8H2,1-4H3
InChIKeyHVKXSQHVKWVESB-UHFFFAOYSA-N
XLogP2.15
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-N,2-dimethyl-N-[3-(1-methylpyrazol-4-yl)propyl]pyrimidin-4-amine?
The IUPAC name of 5-ethyl-N,2-dimethyl-N-[3-(1-methylpyrazol-4-yl)propyl]pyrimidin-4-amine (CID 50976962) is 5-ethyl-N,2-dimethyl-N-[3-(1-methylpyrazol-4-yl)propyl]pyrimidin-4-amine.
What is the SMILES notation for 5-ethyl-N,2-dimethyl-N-[3-(1-methylpyrazol-4-yl)propyl]pyrimidin-4-amine?
The canonical SMILES for 5-ethyl-N,2-dimethyl-N-[3-(1-methylpyrazol-4-yl)propyl]pyrimidin-4-amine is CCc1cnc(C)nc1N(C)CCCc1cnn(C)c1.
What is the InChIKey of 5-ethyl-N,2-dimethyl-N-[3-(1-methylpyrazol-4-yl)propyl]pyrimidin-4-amine?
The InChIKey is HVKXSQHVKWVESB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5/c1-5-14-10-16-12(2)18-15(14)19(3)8-6-7-13-9-17-20(4)11-13/h9-11H,5-8H2,1-4H3.
What are the key properties of 5-ethyl-N,2-dimethyl-N-[3-(1-methylpyrazol-4-yl)propyl]pyrimidin-4-amine?
5-ethyl-N,2-dimethyl-N-[3-(1-methylpyrazol-4-yl)propyl]pyrimidin-4-amine has a molecular weight of 273.38 g/mol, XLogP of 2.15, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-N,2-dimethyl-N-[3-(1-methylpyrazol-4-yl)propyl]pyrimidin-4-amine is sourced from PubChem (CID 50976962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).