4-N-butyl-6-(3,5-dimethylpyrazol-1-yl)-4-N-methylpyrimidine-4,5-diamine

C14H22N6 — CID 19139911

IUPAC4-N-butyl-6-(3,5-dimethylpyrazol-1-yl)-4-N-methylpyrimidine-4,5-diamine
SMILESCCCCN(C)c1ncnc(-n2nc(C)cc2C)c1N
InChIInChI=1S/C14H22N6/c1-5-6-7-19(4)13-12(15)14(17-9-16-13)20-11(3)8-10(2)18-20/h8-9H,5-7,15H2,1-4H3
InChIKeyHWPDBAXOXYIWCN-UHFFFAOYSA-N
MW274.37 g/mol
LogP2.10
Rot. Bonds5

About 4-N-butyl-6-(3,5-dimethylpyrazol-1-yl)-4-N-methylpyrimidine-4,5-diamine

4-N-butyl-6-(3,5-dimethylpyrazol-1-yl)-4-N-methylpyrimidine-4,5-diamine (PubChem CID 19139911) has the molecular formula C14H22N6 and a molecular weight of 274.37 g/mol. Its IUPAC name is 4-N-butyl-6-(3,5-dimethylpyrazol-1-yl)-4-N-methylpyrimidine-4,5-diamine.

Molecular Properties

Compound Name4-N-butyl-6-(3,5-dimethylpyrazol-1-yl)-4-N-methylpyrimidine-4,5-diamine
PubChem CID19139911
Molecular FormulaC14H22N6
Molecular Weight274.37 g/mol
Exact Mass274.19
IUPAC Name4-N-butyl-6-(3,5-dimethylpyrazol-1-yl)-4-N-methylpyrimidine-4,5-diamine
SMILESCCCCN(C)c1ncnc(-n2nc(C)cc2C)c1N
InChIInChI=1S/C14H22N6/c1-5-6-7-19(4)13-12(15)14(17-9-16-13)20-11(3)8-10(2)18-20/h8-9H,5-7,15H2,1-4H3
InChIKeyHWPDBAXOXYIWCN-UHFFFAOYSA-N
XLogP2.10
TPSA72.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-N-butyl-6-(3,5-dimethylpyrazol-1-yl)-4-N-methylpyrimidine-4,5-diamine?
The IUPAC name of 4-N-butyl-6-(3,5-dimethylpyrazol-1-yl)-4-N-methylpyrimidine-4,5-diamine (CID 19139911) is 4-N-butyl-6-(3,5-dimethylpyrazol-1-yl)-4-N-methylpyrimidine-4,5-diamine.
What is the SMILES notation for 4-N-butyl-6-(3,5-dimethylpyrazol-1-yl)-4-N-methylpyrimidine-4,5-diamine?
The canonical SMILES for 4-N-butyl-6-(3,5-dimethylpyrazol-1-yl)-4-N-methylpyrimidine-4,5-diamine is CCCCN(C)c1ncnc(-n2nc(C)cc2C)c1N.
What is the InChIKey of 4-N-butyl-6-(3,5-dimethylpyrazol-1-yl)-4-N-methylpyrimidine-4,5-diamine?
The InChIKey is HWPDBAXOXYIWCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N6/c1-5-6-7-19(4)13-12(15)14(17-9-16-13)20-11(3)8-10(2)18-20/h8-9H,5-7,15H2,1-4H3.
What are the key properties of 4-N-butyl-6-(3,5-dimethylpyrazol-1-yl)-4-N-methylpyrimidine-4,5-diamine?
4-N-butyl-6-(3,5-dimethylpyrazol-1-yl)-4-N-methylpyrimidine-4,5-diamine has a molecular weight of 274.37 g/mol, XLogP of 2.10, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-butyl-6-(3,5-dimethylpyrazol-1-yl)-4-N-methylpyrimidine-4,5-diamine is sourced from PubChem (CID 19139911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).