4-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-4-N,6-N,6-N-trimethylpyrimidine-4,6-diamine

C15H24N6 — CID 50981973

IUPAC4-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-4-N,6-N,6-N-trimethylpyrimidine-4,6-diamine
SMILESCc1cc(C)n(CCCN(C)c2cc(N(C)C)ncn2)n1
InChIInChI=1S/C15H24N6/c1-12-9-13(2)21(18-12)8-6-7-20(5)15-10-14(19(3)4)16-11-17-15/h9-11H,6-8H2,1-5H3
InChIKeyOTRAPRBURBDXGP-UHFFFAOYSA-N
MW288.40 g/mol
LogP1.88
Rot. Bonds6

About 4-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-4-N,6-N,6-N-trimethylpyrimidine-4,6-diamine

4-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-4-N,6-N,6-N-trimethylpyrimidine-4,6-diamine (PubChem CID 50981973) has the molecular formula C15H24N6 and a molecular weight of 288.40 g/mol. Its IUPAC name is 4-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-4-N,6-N,6-N-trimethylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-4-N,6-N,6-N-trimethylpyrimidine-4,6-diamine
PubChem CID50981973
Molecular FormulaC15H24N6
Molecular Weight288.40 g/mol
Exact Mass288.21
IUPAC Name4-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-4-N,6-N,6-N-trimethylpyrimidine-4,6-diamine
SMILESCc1cc(C)n(CCCN(C)c2cc(N(C)C)ncn2)n1
InChIInChI=1S/C15H24N6/c1-12-9-13(2)21(18-12)8-6-7-20(5)15-10-14(19(3)4)16-11-17-15/h9-11H,6-8H2,1-5H3
InChIKeyOTRAPRBURBDXGP-UHFFFAOYSA-N
XLogP1.88
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.40
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-4-N,6-N,6-N-trimethylpyrimidine-4,6-diamine 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 4-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-4-N,6-N,6-N-trimethylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-4-N,6-N,6-N-trimethylpyrimidine-4,6-diamine (CID 50981973) is 4-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-4-N,6-N,6-N-trimethylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-4-N,6-N,6-N-trimethylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-4-N,6-N,6-N-trimethylpyrimidine-4,6-diamine is Cc1cc(C)n(CCCN(C)c2cc(N(C)C)ncn2)n1.
What is the InChIKey of 4-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-4-N,6-N,6-N-trimethylpyrimidine-4,6-diamine?
The InChIKey is OTRAPRBURBDXGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N6/c1-12-9-13(2)21(18-12)8-6-7-20(5)15-10-14(19(3)4)16-11-17-15/h9-11H,6-8H2,1-5H3.
What are the key properties of 4-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-4-N,6-N,6-N-trimethylpyrimidine-4,6-diamine?
4-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-4-N,6-N,6-N-trimethylpyrimidine-4,6-diamine has a molecular weight of 288.40 g/mol, XLogP of 1.88, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-4-N,6-N,6-N-trimethylpyrimidine-4,6-diamine is sourced from PubChem (CID 50981973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).