2-(6-imino-3,5-dimethylpyrimidin-4-yl)ethenamine

C8H12N4 — CID 174072040

IUPAC2-(6-imino-3,5-dimethylpyrimidin-4-yl)ethenamine
SMILES[H]/N=c1\ncn(C)c(C=CN)c1C
InChIInChI=1S/C8H12N4/c1-6-7(3-4-9)12(2)5-11-8(6)10/h3-5,10H,9H2,1-2H3/b4-3?,10-8-
InChIKeyCYOKMTSJLCMCRX-DICCZCLLSA-N
MW164.21 g/mol
LogP0.14
Rot. Bonds1

About 2-(6-imino-3,5-dimethylpyrimidin-4-yl)ethenamine

2-(6-imino-3,5-dimethylpyrimidin-4-yl)ethenamine (PubChem CID 174072040) has the molecular formula C8H12N4 and a molecular weight of 164.21 g/mol. Its IUPAC name is 2-(6-imino-3,5-dimethylpyrimidin-4-yl)ethenamine.

Molecular Properties

Compound Name2-(6-imino-3,5-dimethylpyrimidin-4-yl)ethenamine
PubChem CID174072040
Molecular FormulaC8H12N4
Molecular Weight164.21 g/mol
Exact Mass164.11
IUPAC Name2-(6-imino-3,5-dimethylpyrimidin-4-yl)ethenamine
SMILES[H]/N=c1\ncn(C)c(C=CN)c1C
InChIInChI=1S/C8H12N4/c1-6-7(3-4-9)12(2)5-11-8(6)10/h3-5,10H,9H2,1-2H3/b4-3?,10-8-
InChIKeyCYOKMTSJLCMCRX-DICCZCLLSA-N
XLogP0.14
TPSA67.69 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.21
LogP ≤ 50.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(6-imino-3,5-dimethylpyrimidin-4-yl)ethenamine?
The IUPAC name of 2-(6-imino-3,5-dimethylpyrimidin-4-yl)ethenamine (CID 174072040) is 2-(6-imino-3,5-dimethylpyrimidin-4-yl)ethenamine.
What is the SMILES notation for 2-(6-imino-3,5-dimethylpyrimidin-4-yl)ethenamine?
The canonical SMILES for 2-(6-imino-3,5-dimethylpyrimidin-4-yl)ethenamine is [H]/N=c1\ncn(C)c(C=CN)c1C.
What is the InChIKey of 2-(6-imino-3,5-dimethylpyrimidin-4-yl)ethenamine?
The InChIKey is CYOKMTSJLCMCRX-DICCZCLLSA-N. The full InChI is InChI=1S/C8H12N4/c1-6-7(3-4-9)12(2)5-11-8(6)10/h3-5,10H,9H2,1-2H3/b4-3?,10-8-.
What are the key properties of 2-(6-imino-3,5-dimethylpyrimidin-4-yl)ethenamine?
2-(6-imino-3,5-dimethylpyrimidin-4-yl)ethenamine has a molecular weight of 164.21 g/mol, XLogP of 0.14, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-imino-3,5-dimethylpyrimidin-4-yl)ethenamine is sourced from PubChem (CID 174072040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).