N-[(1-ethylimidazol-2-yl)methyl]-4,6-dimethylpyrimidin-2-amine

C12H17N5 — CID 45210695

IUPACN-[(1-ethylimidazol-2-yl)methyl]-4,6-dimethylpyrimidin-2-amine
SMILESCCn1ccnc1CNc1nc(C)cc(C)n1
InChIInChI=1S/C12H17N5/c1-4-17-6-5-13-11(17)8-14-12-15-9(2)7-10(3)16-12/h5-7H,4,8H2,1-3H3,(H,14,15,16)
InChIKeyUVIICMWOMQIUOI-UHFFFAOYSA-N
MW231.30 g/mol
LogP1.92
Rot. Bonds4

About N-[(1-ethylimidazol-2-yl)methyl]-4,6-dimethylpyrimidin-2-amine

N-[(1-ethylimidazol-2-yl)methyl]-4,6-dimethylpyrimidin-2-amine (PubChem CID 45210695) has the molecular formula C12H17N5 and a molecular weight of 231.30 g/mol. Its IUPAC name is N-[(1-ethylimidazol-2-yl)methyl]-4,6-dimethylpyrimidin-2-amine.

Molecular Properties

Compound NameN-[(1-ethylimidazol-2-yl)methyl]-4,6-dimethylpyrimidin-2-amine
PubChem CID45210695
Molecular FormulaC12H17N5
Molecular Weight231.30 g/mol
Exact Mass231.15
IUPAC NameN-[(1-ethylimidazol-2-yl)methyl]-4,6-dimethylpyrimidin-2-amine
SMILESCCn1ccnc1CNc1nc(C)cc(C)n1
InChIInChI=1S/C12H17N5/c1-4-17-6-5-13-11(17)8-14-12-15-9(2)7-10(3)16-12/h5-7H,4,8H2,1-3H3,(H,14,15,16)
InChIKeyUVIICMWOMQIUOI-UHFFFAOYSA-N
XLogP1.92
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylimidazol-2-yl)methyl]-4,6-dimethylpyrimidin-2-amine?
The IUPAC name of N-[(1-ethylimidazol-2-yl)methyl]-4,6-dimethylpyrimidin-2-amine (CID 45210695) is N-[(1-ethylimidazol-2-yl)methyl]-4,6-dimethylpyrimidin-2-amine.
What is the SMILES notation for N-[(1-ethylimidazol-2-yl)methyl]-4,6-dimethylpyrimidin-2-amine?
The canonical SMILES for N-[(1-ethylimidazol-2-yl)methyl]-4,6-dimethylpyrimidin-2-amine is CCn1ccnc1CNc1nc(C)cc(C)n1.
What is the InChIKey of N-[(1-ethylimidazol-2-yl)methyl]-4,6-dimethylpyrimidin-2-amine?
The InChIKey is UVIICMWOMQIUOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5/c1-4-17-6-5-13-11(17)8-14-12-15-9(2)7-10(3)16-12/h5-7H,4,8H2,1-3H3,(H,14,15,16).
What are the key properties of N-[(1-ethylimidazol-2-yl)methyl]-4,6-dimethylpyrimidin-2-amine?
N-[(1-ethylimidazol-2-yl)methyl]-4,6-dimethylpyrimidin-2-amine has a molecular weight of 231.30 g/mol, XLogP of 1.92, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylimidazol-2-yl)methyl]-4,6-dimethylpyrimidin-2-amine is sourced from PubChem (CID 45210695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).