2-cyclopropyl-6-[(1-ethylimidazol-2-yl)methyl]-N,5-dimethylpyrimidin-4-amine

C15H21N5 — CID 80976414

IUPAC2-cyclopropyl-6-[(1-ethylimidazol-2-yl)methyl]-N,5-dimethylpyrimidin-4-amine
SMILESCCn1ccnc1Cc1nc(C2CC2)nc(NC)c1C
InChIInChI=1S/C15H21N5/c1-4-20-8-7-17-13(20)9-12-10(2)14(16-3)19-15(18-12)11-5-6-11/h7-8,11H,4-6,9H2,1-3H3,(H,16,18,19)
InChIKeyFMFUVVCXHPBFNN-UHFFFAOYSA-N
MW271.37 g/mol
LogP2.51
Rot. Bonds5

About 2-cyclopropyl-6-[(1-ethylimidazol-2-yl)methyl]-N,5-dimethylpyrimidin-4-amine

2-cyclopropyl-6-[(1-ethylimidazol-2-yl)methyl]-N,5-dimethylpyrimidin-4-amine (PubChem CID 80976414) has the molecular formula C15H21N5 and a molecular weight of 271.37 g/mol. Its IUPAC name is 2-cyclopropyl-6-[(1-ethylimidazol-2-yl)methyl]-N,5-dimethylpyrimidin-4-amine.

Molecular Properties

Compound Name2-cyclopropyl-6-[(1-ethylimidazol-2-yl)methyl]-N,5-dimethylpyrimidin-4-amine
PubChem CID80976414
Molecular FormulaC15H21N5
Molecular Weight271.37 g/mol
Exact Mass271.18
IUPAC Name2-cyclopropyl-6-[(1-ethylimidazol-2-yl)methyl]-N,5-dimethylpyrimidin-4-amine
SMILESCCn1ccnc1Cc1nc(C2CC2)nc(NC)c1C
InChIInChI=1S/C15H21N5/c1-4-20-8-7-17-13(20)9-12-10(2)14(16-3)19-15(18-12)11-5-6-11/h7-8,11H,4-6,9H2,1-3H3,(H,16,18,19)
InChIKeyFMFUVVCXHPBFNN-UHFFFAOYSA-N
XLogP2.51
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.37
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-cyclopropyl-6-(2-ethylimidazol-1-yl)-N,5-dimethylpyrimidin-4-amine
CID 80992904
4-[(1-ethylimidazol-2-yl)methyl]-N-methyl-1,2,5-thiadiazol-3-amine
CID 79737968
2-cyclopropyl-N-ethyl-5-methyl-6-(1-propylimidazol-2-yl)pyrimidin-4-amine
CID 80974848
6-[(1-ethylimidazol-2-yl)methyl]-N,2-dimethylpyrimidin-4-amine
CID 79737865
2-cyclopropyl-N,5-dimethyl-6-pentoxypyrimidin-4-amine
CID 80988065
2-cyclopropyl-6-(1-ethylimidazol-2-yl)pyrimidin-4-amine
CID 80952857
2-cyclopropyl-6-(3-ethyl-4-methylpiperazin-1-yl)-N,5-dimethylpyrimidin-4-amine
CID 80983840
2-ethyl-6-(1-ethylimidazol-2-yl)-N,5-dimethylpyrimidin-4-amine
CID 80977310
4-N-cyclohexyl-2-cyclopropyl-6-N,5-dimethylpyrimidine-4,6-diamine
CID 80980958
2-[(1-ethylimidazol-2-yl)methyl]cyclobutan-1-amine
CID 81014583
2-[(1-ethylimidazol-2-yl)methyl]pyridin-3-ol
CID 83129951
1-[(1-ethylimidazol-2-yl)methyl]-N-methylpiperidin-3-amine
CID 62736422

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-6-[(1-ethylimidazol-2-yl)methyl]-N,5-dimethylpyrimidin-4-amine?
The IUPAC name of 2-cyclopropyl-6-[(1-ethylimidazol-2-yl)methyl]-N,5-dimethylpyrimidin-4-amine (CID 80976414) is 2-cyclopropyl-6-[(1-ethylimidazol-2-yl)methyl]-N,5-dimethylpyrimidin-4-amine.
What is the SMILES notation for 2-cyclopropyl-6-[(1-ethylimidazol-2-yl)methyl]-N,5-dimethylpyrimidin-4-amine?
The canonical SMILES for 2-cyclopropyl-6-[(1-ethylimidazol-2-yl)methyl]-N,5-dimethylpyrimidin-4-amine is CCn1ccnc1Cc1nc(C2CC2)nc(NC)c1C.
What is the InChIKey of 2-cyclopropyl-6-[(1-ethylimidazol-2-yl)methyl]-N,5-dimethylpyrimidin-4-amine?
The InChIKey is FMFUVVCXHPBFNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5/c1-4-20-8-7-17-13(20)9-12-10(2)14(16-3)19-15(18-12)11-5-6-11/h7-8,11H,4-6,9H2,1-3H3,(H,16,18,19).
What are the key properties of 2-cyclopropyl-6-[(1-ethylimidazol-2-yl)methyl]-N,5-dimethylpyrimidin-4-amine?
2-cyclopropyl-6-[(1-ethylimidazol-2-yl)methyl]-N,5-dimethylpyrimidin-4-amine has a molecular weight of 271.37 g/mol, XLogP of 2.51, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-6-[(1-ethylimidazol-2-yl)methyl]-N,5-dimethylpyrimidin-4-amine is sourced from PubChem (CID 80976414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).