4-N-[(1,5-dimethylpyrazol-4-yl)methyl]-6-N-methylpyrimidine-4,6-diamine

C11H16N6 — CID 114139841

IUPAC4-N-[(1,5-dimethylpyrazol-4-yl)methyl]-6-N-methylpyrimidine-4,6-diamine
SMILESCNc1cc(NCc2cnn(C)c2C)ncn1
InChIInChI=1S/C11H16N6/c1-8-9(6-16-17(8)3)5-13-11-4-10(12-2)14-7-15-11/h4,6-7H,5H2,1-3H3,(H2,12,13,14,15)
InChIKeyRTEFWLHKDCVTLT-UHFFFAOYSA-N
MW232.29 g/mol
LogP1.17
Rot. Bonds4

About 4-N-[(1,5-dimethylpyrazol-4-yl)methyl]-6-N-methylpyrimidine-4,6-diamine

4-N-[(1,5-dimethylpyrazol-4-yl)methyl]-6-N-methylpyrimidine-4,6-diamine (PubChem CID 114139841) has the molecular formula C11H16N6 and a molecular weight of 232.29 g/mol. Its IUPAC name is 4-N-[(1,5-dimethylpyrazol-4-yl)methyl]-6-N-methylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-[(1,5-dimethylpyrazol-4-yl)methyl]-6-N-methylpyrimidine-4,6-diamine
PubChem CID114139841
Molecular FormulaC11H16N6
Molecular Weight232.29 g/mol
Exact Mass232.14
IUPAC Name4-N-[(1,5-dimethylpyrazol-4-yl)methyl]-6-N-methylpyrimidine-4,6-diamine
SMILESCNc1cc(NCc2cnn(C)c2C)ncn1
InChIInChI=1S/C11H16N6/c1-8-9(6-16-17(8)3)5-13-11-4-10(12-2)14-7-15-11/h4,6-7H,5H2,1-3H3,(H2,12,13,14,15)
InChIKeyRTEFWLHKDCVTLT-UHFFFAOYSA-N
XLogP1.17
TPSA67.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.29
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-N-[(1,5-dimethylpyrazol-4-yl)methyl]-6-N-methylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-[(1,5-dimethylpyrazol-4-yl)methyl]-6-N-methylpyrimidine-4,6-diamine (CID 114139841) is 4-N-[(1,5-dimethylpyrazol-4-yl)methyl]-6-N-methylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-[(1,5-dimethylpyrazol-4-yl)methyl]-6-N-methylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-[(1,5-dimethylpyrazol-4-yl)methyl]-6-N-methylpyrimidine-4,6-diamine is CNc1cc(NCc2cnn(C)c2C)ncn1.
What is the InChIKey of 4-N-[(1,5-dimethylpyrazol-4-yl)methyl]-6-N-methylpyrimidine-4,6-diamine?
The InChIKey is RTEFWLHKDCVTLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N6/c1-8-9(6-16-17(8)3)5-13-11-4-10(12-2)14-7-15-11/h4,6-7H,5H2,1-3H3,(H2,12,13,14,15).
What are the key properties of 4-N-[(1,5-dimethylpyrazol-4-yl)methyl]-6-N-methylpyrimidine-4,6-diamine?
4-N-[(1,5-dimethylpyrazol-4-yl)methyl]-6-N-methylpyrimidine-4,6-diamine has a molecular weight of 232.29 g/mol, XLogP of 1.17, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(1,5-dimethylpyrazol-4-yl)methyl]-6-N-methylpyrimidine-4,6-diamine is sourced from PubChem (CID 114139841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).