2-[4,6-dimethyl-2-(1-methylpyrazol-3-yl)pyrimidin-5-yl]-N-propylpropan-1-amine

C16H25N5 — CID 65197850

IUPAC2-[4,6-dimethyl-2-(1-methylpyrazol-3-yl)pyrimidin-5-yl]-N-propylpropan-1-amine
SMILESCCCNCC(C)c1c(C)nc(-c2ccn(C)n2)nc1C
InChIInChI=1S/C16H25N5/c1-6-8-17-10-11(2)15-12(3)18-16(19-13(15)4)14-7-9-21(5)20-14/h7,9,11,17H,6,8,10H2,1-5H3
InChIKeyHMWXHKPBXCMKQO-UHFFFAOYSA-N
MW287.41 g/mol
LogP2.60
Rot. Bonds6

About 2-[4,6-dimethyl-2-(1-methylpyrazol-3-yl)pyrimidin-5-yl]-N-propylpropan-1-amine

2-[4,6-dimethyl-2-(1-methylpyrazol-3-yl)pyrimidin-5-yl]-N-propylpropan-1-amine (PubChem CID 65197850) has the molecular formula C16H25N5 and a molecular weight of 287.41 g/mol. Its IUPAC name is 2-[4,6-dimethyl-2-(1-methylpyrazol-3-yl)pyrimidin-5-yl]-N-propylpropan-1-amine.

Molecular Properties

Compound Name2-[4,6-dimethyl-2-(1-methylpyrazol-3-yl)pyrimidin-5-yl]-N-propylpropan-1-amine
PubChem CID65197850
Molecular FormulaC16H25N5
Molecular Weight287.41 g/mol
Exact Mass287.21
IUPAC Name2-[4,6-dimethyl-2-(1-methylpyrazol-3-yl)pyrimidin-5-yl]-N-propylpropan-1-amine
SMILESCCCNCC(C)c1c(C)nc(-c2ccn(C)n2)nc1C
InChIInChI=1S/C16H25N5/c1-6-8-17-10-11(2)15-12(3)18-16(19-13(15)4)14-7-9-21(5)20-14/h7,9,11,17H,6,8,10H2,1-5H3
InChIKeyHMWXHKPBXCMKQO-UHFFFAOYSA-N
XLogP2.60
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-[4,6-dimethyl-2-(1-methylpyrazol-3-yl)pyrimidin-5-yl]-N-propylpropan-1-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 2-[4,6-dimethyl-2-(1-methylpyrazol-3-yl)pyrimidin-5-yl]-N-propylpropan-1-amine?
The IUPAC name of 2-[4,6-dimethyl-2-(1-methylpyrazol-3-yl)pyrimidin-5-yl]-N-propylpropan-1-amine (CID 65197850) is 2-[4,6-dimethyl-2-(1-methylpyrazol-3-yl)pyrimidin-5-yl]-N-propylpropan-1-amine.
What is the SMILES notation for 2-[4,6-dimethyl-2-(1-methylpyrazol-3-yl)pyrimidin-5-yl]-N-propylpropan-1-amine?
The canonical SMILES for 2-[4,6-dimethyl-2-(1-methylpyrazol-3-yl)pyrimidin-5-yl]-N-propylpropan-1-amine is CCCNCC(C)c1c(C)nc(-c2ccn(C)n2)nc1C.
What is the InChIKey of 2-[4,6-dimethyl-2-(1-methylpyrazol-3-yl)pyrimidin-5-yl]-N-propylpropan-1-amine?
The InChIKey is HMWXHKPBXCMKQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N5/c1-6-8-17-10-11(2)15-12(3)18-16(19-13(15)4)14-7-9-21(5)20-14/h7,9,11,17H,6,8,10H2,1-5H3.
What are the key properties of 2-[4,6-dimethyl-2-(1-methylpyrazol-3-yl)pyrimidin-5-yl]-N-propylpropan-1-amine?
2-[4,6-dimethyl-2-(1-methylpyrazol-3-yl)pyrimidin-5-yl]-N-propylpropan-1-amine has a molecular weight of 287.41 g/mol, XLogP of 2.60, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4,6-dimethyl-2-(1-methylpyrazol-3-yl)pyrimidin-5-yl]-N-propylpropan-1-amine is sourced from PubChem (CID 65197850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).