4-N-(1,3-dimethylpyrazol-4-yl)-5-propan-2-yl-6-N-propylpyrimidine-4,6-diamine

C15H24N6 — CID 102807888

IUPAC4-N-(1,3-dimethylpyrazol-4-yl)-5-propan-2-yl-6-N-propylpyrimidine-4,6-diamine
SMILESCCCNc1ncnc(Nc2cn(C)nc2C)c1C(C)C
InChIInChI=1S/C15H24N6/c1-6-7-16-14-13(10(2)3)15(18-9-17-14)19-12-8-21(5)20-11(12)4/h8-10H,6-7H2,1-5H3,(H2,16,17,18,19)
InChIKeyJKPJOEJNQHQLHO-UHFFFAOYSA-N
MW288.40 g/mol
LogP3.21
Rot. Bonds6

About 4-N-(1,3-dimethylpyrazol-4-yl)-5-propan-2-yl-6-N-propylpyrimidine-4,6-diamine

4-N-(1,3-dimethylpyrazol-4-yl)-5-propan-2-yl-6-N-propylpyrimidine-4,6-diamine (PubChem CID 102807888) has the molecular formula C15H24N6 and a molecular weight of 288.40 g/mol. Its IUPAC name is 4-N-(1,3-dimethylpyrazol-4-yl)-5-propan-2-yl-6-N-propylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(1,3-dimethylpyrazol-4-yl)-5-propan-2-yl-6-N-propylpyrimidine-4,6-diamine
PubChem CID102807888
Molecular FormulaC15H24N6
Molecular Weight288.40 g/mol
Exact Mass288.21
IUPAC Name4-N-(1,3-dimethylpyrazol-4-yl)-5-propan-2-yl-6-N-propylpyrimidine-4,6-diamine
SMILESCCCNc1ncnc(Nc2cn(C)nc2C)c1C(C)C
InChIInChI=1S/C15H24N6/c1-6-7-16-14-13(10(2)3)15(18-9-17-14)19-12-8-21(5)20-11(12)4/h8-10H,6-7H2,1-5H3,(H2,16,17,18,19)
InChIKeyJKPJOEJNQHQLHO-UHFFFAOYSA-N
XLogP3.21
TPSA67.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.40
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-N-(1,3-dimethylpyrazol-4-yl)-5-propan-2-yl-6-N-propylpyrimidine-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-(1,3-dimethylpyrazol-4-yl)-5-propan-2-yl-6-N-propylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-(1,3-dimethylpyrazol-4-yl)-5-propan-2-yl-6-N-propylpyrimidine-4,6-diamine (CID 102807888) is 4-N-(1,3-dimethylpyrazol-4-yl)-5-propan-2-yl-6-N-propylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(1,3-dimethylpyrazol-4-yl)-5-propan-2-yl-6-N-propylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(1,3-dimethylpyrazol-4-yl)-5-propan-2-yl-6-N-propylpyrimidine-4,6-diamine is CCCNc1ncnc(Nc2cn(C)nc2C)c1C(C)C.
What is the InChIKey of 4-N-(1,3-dimethylpyrazol-4-yl)-5-propan-2-yl-6-N-propylpyrimidine-4,6-diamine?
The InChIKey is JKPJOEJNQHQLHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N6/c1-6-7-16-14-13(10(2)3)15(18-9-17-14)19-12-8-21(5)20-11(12)4/h8-10H,6-7H2,1-5H3,(H2,16,17,18,19).
What are the key properties of 4-N-(1,3-dimethylpyrazol-4-yl)-5-propan-2-yl-6-N-propylpyrimidine-4,6-diamine?
4-N-(1,3-dimethylpyrazol-4-yl)-5-propan-2-yl-6-N-propylpyrimidine-4,6-diamine has a molecular weight of 288.40 g/mol, XLogP of 3.21, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(1,3-dimethylpyrazol-4-yl)-5-propan-2-yl-6-N-propylpyrimidine-4,6-diamine is sourced from PubChem (CID 102807888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).