N-ethyl-2-(3-ethylimidazol-4-yl)-6-methylpyrimidin-4-amine

C12H17N5 — CID 66135687

IUPACN-ethyl-2-(3-ethylimidazol-4-yl)-6-methylpyrimidin-4-amine
SMILESCCNc1cc(C)nc(-c2cncn2CC)n1
InChIInChI=1S/C12H17N5/c1-4-14-11-6-9(3)15-12(16-11)10-7-13-8-17(10)5-2/h6-8H,4-5H2,1-3H3,(H,14,15,16)
InChIKeyPADWNDLAZOJUBY-UHFFFAOYSA-N
MW231.30 g/mol
LogP2.10
Rot. Bonds4

About N-ethyl-2-(3-ethylimidazol-4-yl)-6-methylpyrimidin-4-amine

N-ethyl-2-(3-ethylimidazol-4-yl)-6-methylpyrimidin-4-amine (PubChem CID 66135687) has the molecular formula C12H17N5 and a molecular weight of 231.30 g/mol. Its IUPAC name is N-ethyl-2-(3-ethylimidazol-4-yl)-6-methylpyrimidin-4-amine.

Molecular Properties

Compound NameN-ethyl-2-(3-ethylimidazol-4-yl)-6-methylpyrimidin-4-amine
PubChem CID66135687
Molecular FormulaC12H17N5
Molecular Weight231.30 g/mol
Exact Mass231.15
IUPAC NameN-ethyl-2-(3-ethylimidazol-4-yl)-6-methylpyrimidin-4-amine
SMILESCCNc1cc(C)nc(-c2cncn2CC)n1
InChIInChI=1S/C12H17N5/c1-4-14-11-6-9(3)15-12(16-11)10-7-13-8-17(10)5-2/h6-8H,4-5H2,1-3H3,(H,14,15,16)
InChIKeyPADWNDLAZOJUBY-UHFFFAOYSA-N
XLogP2.10
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 ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-6-propan-2-yl-2-(3-propylimidazol-4-yl)pyrimidin-4-amine
CID 66141086
N-ethyl-6-methyl-2-pyrazin-2-ylpyrimidin-4-amine
CID 62193018
[6-cyclopentyl-2-(3-ethylimidazol-4-yl)pyrimidin-4-yl]hydrazine
CID 113390594
6-ethyl-N-propyl-2-(3-propylimidazol-4-yl)pyrimidin-4-amine
CID 66141084
6-ethyl-2-(3-ethylimidazol-4-yl)-5-methyl-N-propylpyrimidin-4-amine
CID 66132810
N-ethyl-6-methyl-2-(5-methylthiophen-2-yl)pyrimidin-4-amine
CID 62190978
[2-(3-ethylimidazol-4-yl)-6-(1-methylpyrazol-4-yl)pyrimidin-4-yl]hydrazine
CID 106716226
N-ethyl-2-(5-fluoro-2-pyridinyl)-6-methylpyrimidin-4-amine
CID 79718153
N-ethyl-3-(3-ethylimidazol-4-yl)pyrazin-2-amine
CID 112559338
N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-6-methyl-2-pyridin-3-ylpyrimidin-4-amine
CID 50952376
N-ethyl-2-(3-methylimidazol-4-yl)-6-(1-methylpyrazol-4-yl)pyrimidin-4-amine
CID 106715906
2-(3-cyclopropylimidazol-4-yl)-N-ethyl-6-propan-2-ylpyrimidin-4-amine
CID 66163526

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(3-ethylimidazol-4-yl)-6-methylpyrimidin-4-amine?
The IUPAC name of N-ethyl-2-(3-ethylimidazol-4-yl)-6-methylpyrimidin-4-amine (CID 66135687) is N-ethyl-2-(3-ethylimidazol-4-yl)-6-methylpyrimidin-4-amine.
What is the SMILES notation for N-ethyl-2-(3-ethylimidazol-4-yl)-6-methylpyrimidin-4-amine?
The canonical SMILES for N-ethyl-2-(3-ethylimidazol-4-yl)-6-methylpyrimidin-4-amine is CCNc1cc(C)nc(-c2cncn2CC)n1.
What is the InChIKey of N-ethyl-2-(3-ethylimidazol-4-yl)-6-methylpyrimidin-4-amine?
The InChIKey is PADWNDLAZOJUBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5/c1-4-14-11-6-9(3)15-12(16-11)10-7-13-8-17(10)5-2/h6-8H,4-5H2,1-3H3,(H,14,15,16).
What are the key properties of N-ethyl-2-(3-ethylimidazol-4-yl)-6-methylpyrimidin-4-amine?
N-ethyl-2-(3-ethylimidazol-4-yl)-6-methylpyrimidin-4-amine has a molecular weight of 231.30 g/mol, XLogP of 2.10, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(3-ethylimidazol-4-yl)-6-methylpyrimidin-4-amine is sourced from PubChem (CID 66135687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).