4-N-[(3-ethylimidazol-4-yl)methyl]-6-methoxypyrimidine-2,4-diamine

C11H16N6O — CID 39834331

IUPAC4-N-[(3-ethylimidazol-4-yl)methyl]-6-methoxypyrimidine-2,4-diamine
SMILESCCn1cncc1CNc1cc(OC)nc(N)n1
InChIInChI=1S/C11H16N6O/c1-3-17-7-13-5-8(17)6-14-9-4-10(18-2)16-11(12)15-9/h4-5,7H,3,6H2,1-2H3,(H3,12,14,15,16)
InChIKeyZKWRIALKIOPUOK-UHFFFAOYSA-N
MW248.29 g/mol
LogP0.90
Rot. Bonds5

About 4-N-[(3-ethylimidazol-4-yl)methyl]-6-methoxypyrimidine-2,4-diamine

4-N-[(3-ethylimidazol-4-yl)methyl]-6-methoxypyrimidine-2,4-diamine (PubChem CID 39834331) has the molecular formula C11H16N6O and a molecular weight of 248.29 g/mol. Its IUPAC name is 4-N-[(3-ethylimidazol-4-yl)methyl]-6-methoxypyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-[(3-ethylimidazol-4-yl)methyl]-6-methoxypyrimidine-2,4-diamine
PubChem CID39834331
Molecular FormulaC11H16N6O
Molecular Weight248.29 g/mol
Exact Mass248.14
IUPAC Name4-N-[(3-ethylimidazol-4-yl)methyl]-6-methoxypyrimidine-2,4-diamine
SMILESCCn1cncc1CNc1cc(OC)nc(N)n1
InChIInChI=1S/C11H16N6O/c1-3-17-7-13-5-8(17)6-14-9-4-10(18-2)16-11(12)15-9/h4-5,7H,3,6H2,1-2H3,(H3,12,14,15,16)
InChIKeyZKWRIALKIOPUOK-UHFFFAOYSA-N
XLogP0.90
TPSA90.88 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.29
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-N-[(3-ethylimidazol-4-yl)methyl]-6-methoxypyrimidine-2,4-diamine?
The IUPAC name of 4-N-[(3-ethylimidazol-4-yl)methyl]-6-methoxypyrimidine-2,4-diamine (CID 39834331) is 4-N-[(3-ethylimidazol-4-yl)methyl]-6-methoxypyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-[(3-ethylimidazol-4-yl)methyl]-6-methoxypyrimidine-2,4-diamine?
The canonical SMILES for 4-N-[(3-ethylimidazol-4-yl)methyl]-6-methoxypyrimidine-2,4-diamine is CCn1cncc1CNc1cc(OC)nc(N)n1.
What is the InChIKey of 4-N-[(3-ethylimidazol-4-yl)methyl]-6-methoxypyrimidine-2,4-diamine?
The InChIKey is ZKWRIALKIOPUOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N6O/c1-3-17-7-13-5-8(17)6-14-9-4-10(18-2)16-11(12)15-9/h4-5,7H,3,6H2,1-2H3,(H3,12,14,15,16).
What are the key properties of 4-N-[(3-ethylimidazol-4-yl)methyl]-6-methoxypyrimidine-2,4-diamine?
4-N-[(3-ethylimidazol-4-yl)methyl]-6-methoxypyrimidine-2,4-diamine has a molecular weight of 248.29 g/mol, XLogP of 0.90, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(3-ethylimidazol-4-yl)methyl]-6-methoxypyrimidine-2,4-diamine is sourced from PubChem (CID 39834331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).