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

C12H17N5 — CID 79737865

IUPAC6-[(1-ethylimidazol-2-yl)methyl]-N,2-dimethylpyrimidin-4-amine
SMILESCCn1ccnc1Cc1cc(NC)nc(C)n1
InChIInChI=1S/C12H17N5/c1-4-17-6-5-14-12(17)8-10-7-11(13-3)16-9(2)15-10/h5-7H,4,8H2,1-3H3,(H,13,15,16)
InChIKeyCIPAIDHZPISRLQ-UHFFFAOYSA-N
MW231.30 g/mol
LogP1.63
Rot. Bonds4

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

6-[(1-ethylimidazol-2-yl)methyl]-N,2-dimethylpyrimidin-4-amine (PubChem CID 79737865) has the molecular formula C12H17N5 and a molecular weight of 231.30 g/mol. Its IUPAC name is 6-[(1-ethylimidazol-2-yl)methyl]-N,2-dimethylpyrimidin-4-amine.

Molecular Properties

Compound Name6-[(1-ethylimidazol-2-yl)methyl]-N,2-dimethylpyrimidin-4-amine
PubChem CID79737865
Molecular FormulaC12H17N5
Molecular Weight231.30 g/mol
Exact Mass231.15
IUPAC Name6-[(1-ethylimidazol-2-yl)methyl]-N,2-dimethylpyrimidin-4-amine
SMILESCCn1ccnc1Cc1cc(NC)nc(C)n1
InChIInChI=1S/C12H17N5/c1-4-17-6-5-14-12(17)8-10-7-11(13-3)16-9(2)15-10/h5-7H,4,8H2,1-3H3,(H,13,15,16)
InChIKeyCIPAIDHZPISRLQ-UHFFFAOYSA-N
XLogP1.63
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 ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-6-[(1-ethylimidazol-2-yl)methyl]-2-methylpyrimidine
CID 79738348
N-ethyl-2-methyl-6-[(1-propylimidazol-2-yl)methyl]pyrimidin-4-amine
CID 79738067
N-methyl-6-[(1-propylimidazol-2-yl)methyl]-2-(trifluoromethyl)pyrimidin-4-amine
CID 106769668
2-chloro-4-[(1-ethylimidazol-2-yl)methyl]-6-methylpyrimidine
CID 79739014
N-methyl-2-propan-2-yl-6-[(1-propylimidazol-2-yl)methyl]pyrimidin-4-amine
CID 80952651
[2-[(1-ethylimidazol-2-yl)methyl]-4-pyridinyl]hydrazine
CID 102825315
4-[(1-ethylimidazol-2-yl)methyl]-N-methyl-1,2,5-thiadiazol-3-amine
CID 79737968
1-[4-[(1-ethylimidazol-2-yl)methyl]phenyl]-N-methylmethanamine
CID 79738325
1-ethyl-2-(iodomethyl)imidazole
CID 64786618
[2-chloro-5-[(1-ethylimidazol-2-yl)methyl]phenyl]methanamine
CID 114076779
1-ethyl-2-[(2-methylimidazol-1-yl)methyl]imidazole
CID 62406588
3-[(1-ethylimidazol-2-yl)methyl]-5-methylpyridin-2-amine
CID 79761192

Frequently Asked Questions

What is the IUPAC name of 6-[(1-ethylimidazol-2-yl)methyl]-N,2-dimethylpyrimidin-4-amine?
The IUPAC name of 6-[(1-ethylimidazol-2-yl)methyl]-N,2-dimethylpyrimidin-4-amine (CID 79737865) is 6-[(1-ethylimidazol-2-yl)methyl]-N,2-dimethylpyrimidin-4-amine.
What is the SMILES notation for 6-[(1-ethylimidazol-2-yl)methyl]-N,2-dimethylpyrimidin-4-amine?
The canonical SMILES for 6-[(1-ethylimidazol-2-yl)methyl]-N,2-dimethylpyrimidin-4-amine is CCn1ccnc1Cc1cc(NC)nc(C)n1.
What is the InChIKey of 6-[(1-ethylimidazol-2-yl)methyl]-N,2-dimethylpyrimidin-4-amine?
The InChIKey is CIPAIDHZPISRLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5/c1-4-17-6-5-14-12(17)8-10-7-11(13-3)16-9(2)15-10/h5-7H,4,8H2,1-3H3,(H,13,15,16).
What are the key properties of 6-[(1-ethylimidazol-2-yl)methyl]-N,2-dimethylpyrimidin-4-amine?
6-[(1-ethylimidazol-2-yl)methyl]-N,2-dimethylpyrimidin-4-amine has a molecular weight of 231.30 g/mol, XLogP of 1.63, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(1-ethylimidazol-2-yl)methyl]-N,2-dimethylpyrimidin-4-amine is sourced from PubChem (CID 79737865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).