5-ethyl-N-[(1-propylpyrazol-4-yl)methyl]pyrimidin-2-amine

C13H19N5 — CID 72897270

IUPAC5-ethyl-N-[(1-propylpyrazol-4-yl)methyl]pyrimidin-2-amine
SMILESCCCn1cc(CNc2ncc(CC)cn2)cn1
InChIInChI=1S/C13H19N5/c1-3-5-18-10-12(9-17-18)8-16-13-14-6-11(4-2)7-15-13/h6-7,9-10H,3-5,8H2,1-2H3,(H,14,15,16)
InChIKeyUOUUJDJXZSCZPS-UHFFFAOYSA-N
MW245.33 g/mol
LogP2.26
Rot. Bonds6

About 5-ethyl-N-[(1-propylpyrazol-4-yl)methyl]pyrimidin-2-amine

5-ethyl-N-[(1-propylpyrazol-4-yl)methyl]pyrimidin-2-amine (PubChem CID 72897270) has the molecular formula C13H19N5 and a molecular weight of 245.33 g/mol. Its IUPAC name is 5-ethyl-N-[(1-propylpyrazol-4-yl)methyl]pyrimidin-2-amine.

Molecular Properties

Compound Name5-ethyl-N-[(1-propylpyrazol-4-yl)methyl]pyrimidin-2-amine
PubChem CID72897270
Molecular FormulaC13H19N5
Molecular Weight245.33 g/mol
Exact Mass245.16
IUPAC Name5-ethyl-N-[(1-propylpyrazol-4-yl)methyl]pyrimidin-2-amine
SMILESCCCn1cc(CNc2ncc(CC)cn2)cn1
InChIInChI=1S/C13H19N5/c1-3-5-18-10-12(9-17-18)8-16-13-14-6-11(4-2)7-15-13/h6-7,9-10H,3-5,8H2,1-2H3,(H,14,15,16)
InChIKeyUOUUJDJXZSCZPS-UHFFFAOYSA-N
XLogP2.26
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-ethyl-N-[(1-propylpyrazol-4-yl)methyl]pyrimidin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-N-[(1-propylpyrazol-4-yl)methyl]pyrimidin-2-amine?
The IUPAC name of 5-ethyl-N-[(1-propylpyrazol-4-yl)methyl]pyrimidin-2-amine (CID 72897270) is 5-ethyl-N-[(1-propylpyrazol-4-yl)methyl]pyrimidin-2-amine.
What is the SMILES notation for 5-ethyl-N-[(1-propylpyrazol-4-yl)methyl]pyrimidin-2-amine?
The canonical SMILES for 5-ethyl-N-[(1-propylpyrazol-4-yl)methyl]pyrimidin-2-amine is CCCn1cc(CNc2ncc(CC)cn2)cn1.
What is the InChIKey of 5-ethyl-N-[(1-propylpyrazol-4-yl)methyl]pyrimidin-2-amine?
The InChIKey is UOUUJDJXZSCZPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5/c1-3-5-18-10-12(9-17-18)8-16-13-14-6-11(4-2)7-15-13/h6-7,9-10H,3-5,8H2,1-2H3,(H,14,15,16).
What are the key properties of 5-ethyl-N-[(1-propylpyrazol-4-yl)methyl]pyrimidin-2-amine?
5-ethyl-N-[(1-propylpyrazol-4-yl)methyl]pyrimidin-2-amine has a molecular weight of 245.33 g/mol, XLogP of 2.26, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-N-[(1-propylpyrazol-4-yl)methyl]pyrimidin-2-amine is sourced from PubChem (CID 72897270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).