N-[(1-ethylimidazol-2-yl)methyl]-6-methoxy-N-methylpyrimidin-4-amine

C12H17N5O — CID 50962076

IUPACN-[(1-ethylimidazol-2-yl)methyl]-6-methoxy-N-methylpyrimidin-4-amine
SMILESCCn1ccnc1CN(C)c1cc(OC)ncn1
InChIInChI=1S/C12H17N5O/c1-4-17-6-5-13-11(17)8-16(2)10-7-12(18-3)15-9-14-10/h5-7,9H,4,8H2,1-3H3
InChIKeyQNXNNEAGFNYEKH-UHFFFAOYSA-N
MW247.30 g/mol
LogP1.34
Rot. Bonds5

About N-[(1-ethylimidazol-2-yl)methyl]-6-methoxy-N-methylpyrimidin-4-amine

N-[(1-ethylimidazol-2-yl)methyl]-6-methoxy-N-methylpyrimidin-4-amine (PubChem CID 50962076) has the molecular formula C12H17N5O and a molecular weight of 247.30 g/mol. Its IUPAC name is N-[(1-ethylimidazol-2-yl)methyl]-6-methoxy-N-methylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[(1-ethylimidazol-2-yl)methyl]-6-methoxy-N-methylpyrimidin-4-amine
PubChem CID50962076
Molecular FormulaC12H17N5O
Molecular Weight247.30 g/mol
Exact Mass247.14
IUPAC NameN-[(1-ethylimidazol-2-yl)methyl]-6-methoxy-N-methylpyrimidin-4-amine
SMILESCCn1ccnc1CN(C)c1cc(OC)ncn1
InChIInChI=1S/C12H17N5O/c1-4-17-6-5-13-11(17)8-16(2)10-7-12(18-3)15-9-14-10/h5-7,9H,4,8H2,1-3H3
InChIKeyQNXNNEAGFNYEKH-UHFFFAOYSA-N
XLogP1.34
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylimidazol-2-yl)methyl]-6-methoxy-N-methylpyrimidin-4-amine?
The IUPAC name of N-[(1-ethylimidazol-2-yl)methyl]-6-methoxy-N-methylpyrimidin-4-amine (CID 50962076) is N-[(1-ethylimidazol-2-yl)methyl]-6-methoxy-N-methylpyrimidin-4-amine.
What is the SMILES notation for N-[(1-ethylimidazol-2-yl)methyl]-6-methoxy-N-methylpyrimidin-4-amine?
The canonical SMILES for N-[(1-ethylimidazol-2-yl)methyl]-6-methoxy-N-methylpyrimidin-4-amine is CCn1ccnc1CN(C)c1cc(OC)ncn1.
What is the InChIKey of N-[(1-ethylimidazol-2-yl)methyl]-6-methoxy-N-methylpyrimidin-4-amine?
The InChIKey is QNXNNEAGFNYEKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O/c1-4-17-6-5-13-11(17)8-16(2)10-7-12(18-3)15-9-14-10/h5-7,9H,4,8H2,1-3H3.
What are the key properties of N-[(1-ethylimidazol-2-yl)methyl]-6-methoxy-N-methylpyrimidin-4-amine?
N-[(1-ethylimidazol-2-yl)methyl]-6-methoxy-N-methylpyrimidin-4-amine has a molecular weight of 247.30 g/mol, XLogP of 1.34, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylimidazol-2-yl)methyl]-6-methoxy-N-methylpyrimidin-4-amine is sourced from PubChem (CID 50962076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).