6-chloro-2-ethyl-N-methyl-N-[(1-methylimidazol-2-yl)methyl]pyrimidin-4-amine

C12H16ClN5 — CID 80936276

IUPAC6-chloro-2-ethyl-N-methyl-N-[(1-methylimidazol-2-yl)methyl]pyrimidin-4-amine
SMILESCCc1nc(Cl)cc(N(C)Cc2nccn2C)n1
InChIInChI=1S/C12H16ClN5/c1-4-10-15-9(13)7-11(16-10)18(3)8-12-14-5-6-17(12)2/h5-7H,4,8H2,1-3H3
InChIKeyLTWUXCGZEGDFNY-UHFFFAOYSA-N
MW265.75 g/mol
LogP2.06
Rot. Bonds4

About 6-chloro-2-ethyl-N-methyl-N-[(1-methylimidazol-2-yl)methyl]pyrimidin-4-amine

6-chloro-2-ethyl-N-methyl-N-[(1-methylimidazol-2-yl)methyl]pyrimidin-4-amine (PubChem CID 80936276) has the molecular formula C12H16ClN5 and a molecular weight of 265.75 g/mol. Its IUPAC name is 6-chloro-2-ethyl-N-methyl-N-[(1-methylimidazol-2-yl)methyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-2-ethyl-N-methyl-N-[(1-methylimidazol-2-yl)methyl]pyrimidin-4-amine
PubChem CID80936276
Molecular FormulaC12H16ClN5
Molecular Weight265.75 g/mol
Exact Mass265.11
IUPAC Name6-chloro-2-ethyl-N-methyl-N-[(1-methylimidazol-2-yl)methyl]pyrimidin-4-amine
SMILESCCc1nc(Cl)cc(N(C)Cc2nccn2C)n1
InChIInChI=1S/C12H16ClN5/c1-4-10-15-9(13)7-11(16-10)18(3)8-12-14-5-6-17(12)2/h5-7H,4,8H2,1-3H3
InChIKeyLTWUXCGZEGDFNY-UHFFFAOYSA-N
XLogP2.06
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.75
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-2-ethyl-6-[(1-methylimidazol-2-yl)methyl]pyrimidine
CID 80935856
6-chloro-2-ethyl-N-[(1-methylimidazol-2-yl)methyl]pyrimidin-4-amine
CID 80936719
6-chloro-2-ethyl-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyrimidin-4-amine
CID 80936080
6-N-ethyl-4-N-methyl-4-N-[(1-methylimidazol-2-yl)methyl]-2-propylpyrimidine-4,6-diamine
CID 80944629
N-[(4-bromophenyl)methyl]-6-chloro-2-ethyl-N-methylpyrimidin-4-amine
CID 80935805
6-chloro-2-ethyl-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]pyrimidin-4-amine
CID 80936193
3-chloro-5-(chloromethyl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]pyridin-2-amine
CID 63025583
6-N-ethyl-4-N-methyl-4-N-[(1-methylimidazol-2-yl)methyl]pyrimidine-2,4,6-triamine
CID 80831583
3-[(6-chloro-2-ethylpyrimidin-4-yl)-methylamino]propanenitrile
CID 80943703
5-chloro-N-methyl-N-[(1-methylimidazol-2-yl)methyl]-6-(propylaminomethyl)pyridin-2-amine
CID 63024811
2-ethyl-6-hydrazinyl-N,5-dimethyl-N-[(1-methylimidazol-2-yl)methyl]pyrimidin-4-amine
CID 81007702
6-chloro-5-ethyl-N,2-dimethyl-N-[(1-methylimidazol-2-yl)methyl]pyrimidin-4-amine
CID 133431995

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-ethyl-N-methyl-N-[(1-methylimidazol-2-yl)methyl]pyrimidin-4-amine?
The IUPAC name of 6-chloro-2-ethyl-N-methyl-N-[(1-methylimidazol-2-yl)methyl]pyrimidin-4-amine (CID 80936276) is 6-chloro-2-ethyl-N-methyl-N-[(1-methylimidazol-2-yl)methyl]pyrimidin-4-amine.
What is the SMILES notation for 6-chloro-2-ethyl-N-methyl-N-[(1-methylimidazol-2-yl)methyl]pyrimidin-4-amine?
The canonical SMILES for 6-chloro-2-ethyl-N-methyl-N-[(1-methylimidazol-2-yl)methyl]pyrimidin-4-amine is CCc1nc(Cl)cc(N(C)Cc2nccn2C)n1.
What is the InChIKey of 6-chloro-2-ethyl-N-methyl-N-[(1-methylimidazol-2-yl)methyl]pyrimidin-4-amine?
The InChIKey is LTWUXCGZEGDFNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN5/c1-4-10-15-9(13)7-11(16-10)18(3)8-12-14-5-6-17(12)2/h5-7H,4,8H2,1-3H3.
What are the key properties of 6-chloro-2-ethyl-N-methyl-N-[(1-methylimidazol-2-yl)methyl]pyrimidin-4-amine?
6-chloro-2-ethyl-N-methyl-N-[(1-methylimidazol-2-yl)methyl]pyrimidin-4-amine has a molecular weight of 265.75 g/mol, XLogP of 2.06, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-ethyl-N-methyl-N-[(1-methylimidazol-2-yl)methyl]pyrimidin-4-amine is sourced from PubChem (CID 80936276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).