5-[(1,5-dimethylpyrazol-3-yl)methoxy]-4-N-methylpyrimidine-2,4-diamine

C11H16N6O — CID 134569016

IUPAC5-[(1,5-dimethylpyrazol-3-yl)methoxy]-4-N-methylpyrimidine-2,4-diamine
SMILESCNc1nc(N)ncc1OCc1cc(C)n(C)n1
InChIInChI=1S/C11H16N6O/c1-7-4-8(16-17(7)3)6-18-9-5-14-11(12)15-10(9)13-2/h4-5H,6H2,1-3H3,(H3,12,13,14,15)
InChIKeyGONQMAAINDTZDC-UHFFFAOYSA-N
MW248.29 g/mol
LogP0.72
Rot. Bonds4

About 5-[(1,5-dimethylpyrazol-3-yl)methoxy]-4-N-methylpyrimidine-2,4-diamine

5-[(1,5-dimethylpyrazol-3-yl)methoxy]-4-N-methylpyrimidine-2,4-diamine (PubChem CID 134569016) has the molecular formula C11H16N6O and a molecular weight of 248.29 g/mol. Its IUPAC name is 5-[(1,5-dimethylpyrazol-3-yl)methoxy]-4-N-methylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-[(1,5-dimethylpyrazol-3-yl)methoxy]-4-N-methylpyrimidine-2,4-diamine
PubChem CID134569016
Molecular FormulaC11H16N6O
Molecular Weight248.29 g/mol
Exact Mass248.14
IUPAC Name5-[(1,5-dimethylpyrazol-3-yl)methoxy]-4-N-methylpyrimidine-2,4-diamine
SMILESCNc1nc(N)ncc1OCc1cc(C)n(C)n1
InChIInChI=1S/C11H16N6O/c1-7-4-8(16-17(7)3)6-18-9-5-14-11(12)15-10(9)13-2/h4-5H,6H2,1-3H3,(H3,12,13,14,15)
InChIKeyGONQMAAINDTZDC-UHFFFAOYSA-N
XLogP0.72
TPSA90.88 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.29
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[(1,5-dimethylpyrazol-3-yl)methoxy]-4-N-methylpyrimidine-2,4-diamine?
The IUPAC name of 5-[(1,5-dimethylpyrazol-3-yl)methoxy]-4-N-methylpyrimidine-2,4-diamine (CID 134569016) is 5-[(1,5-dimethylpyrazol-3-yl)methoxy]-4-N-methylpyrimidine-2,4-diamine.
What is the SMILES notation for 5-[(1,5-dimethylpyrazol-3-yl)methoxy]-4-N-methylpyrimidine-2,4-diamine?
The canonical SMILES for 5-[(1,5-dimethylpyrazol-3-yl)methoxy]-4-N-methylpyrimidine-2,4-diamine is CNc1nc(N)ncc1OCc1cc(C)n(C)n1.
What is the InChIKey of 5-[(1,5-dimethylpyrazol-3-yl)methoxy]-4-N-methylpyrimidine-2,4-diamine?
The InChIKey is GONQMAAINDTZDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N6O/c1-7-4-8(16-17(7)3)6-18-9-5-14-11(12)15-10(9)13-2/h4-5H,6H2,1-3H3,(H3,12,13,14,15).
What are the key properties of 5-[(1,5-dimethylpyrazol-3-yl)methoxy]-4-N-methylpyrimidine-2,4-diamine?
5-[(1,5-dimethylpyrazol-3-yl)methoxy]-4-N-methylpyrimidine-2,4-diamine has a molecular weight of 248.29 g/mol, XLogP of 0.72, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1,5-dimethylpyrazol-3-yl)methoxy]-4-N-methylpyrimidine-2,4-diamine is sourced from PubChem (CID 134569016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).