2-(1,2-dimethyl-6-oxopyrimidin-5-yl)ethanimidamide

C8H12N4O — CID 83875415

IUPAC2-(1,2-dimethyl-6-oxopyrimidin-5-yl)ethanimidamide
SMILES[H]/N=C(\N)Cc1cnc(C)n(C)c1=O
InChIInChI=1S/C8H12N4O/c1-5-11-4-6(3-7(9)10)8(13)12(5)2/h4H,3H2,1-2H3,(H3,9,10)
InChIKeyHZGHZEUAQFRFBC-UHFFFAOYSA-N
MW180.21 g/mol
LogP-0.43
Rot. Bonds2

About 2-(1,2-dimethyl-6-oxopyrimidin-5-yl)ethanimidamide

2-(1,2-dimethyl-6-oxopyrimidin-5-yl)ethanimidamide (PubChem CID 83875415) has the molecular formula C8H12N4O and a molecular weight of 180.21 g/mol. Its IUPAC name is 2-(1,2-dimethyl-6-oxopyrimidin-5-yl)ethanimidamide.

Molecular Properties

Compound Name2-(1,2-dimethyl-6-oxopyrimidin-5-yl)ethanimidamide
PubChem CID83875415
Molecular FormulaC8H12N4O
Molecular Weight180.21 g/mol
Exact Mass180.10
IUPAC Name2-(1,2-dimethyl-6-oxopyrimidin-5-yl)ethanimidamide
SMILES[H]/N=C(\N)Cc1cnc(C)n(C)c1=O
InChIInChI=1S/C8H12N4O/c1-5-11-4-6(3-7(9)10)8(13)12(5)2/h4H,3H2,1-2H3,(H3,9,10)
InChIKeyHZGHZEUAQFRFBC-UHFFFAOYSA-N
XLogP-0.43
TPSA84.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 5-0.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

5-ethyl-2-methyl-1H-pyrimidin-6-one
CID 5015079
2-cyclopropyl-5-ethyl-1H-pyrimidin-6-one
CID 23465452
2-methyl-5-propan-2-yl-1H-pyrimidin-6-one
CID 24903697
2,5-di(propan-2-yl)-1H-pyrimidin-6-one
CID 24903699
5-ethyl-2-propan-2-yl-1H-pyrimidin-6-one
CID 24903855
2,5-diethyl-1H-pyrimidin-6-one
CID 53918073
N,N-diethyl-2-(2-methyl-6-oxo-1H-pyrimidin-5-yl)acetamide;ethane
CID 143940488
ethane;2-methyl-5-(2-oxo-2-pyrrolidin-1-ylethyl)-1H-pyrimidin-6-one
CID 143940516
2-(2-methyl-6-oxo-1H-pyrimidin-5-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide
CID 143940523
N-butyl-2-(2-methyl-6-oxo-1H-pyrimidin-5-yl)acetamide;ethane
CID 143940615
N-butyl-2-(2-methyl-6-oxo-1H-pyrimidin-5-yl)acetamide;N,N-diethyl-2-(2-methyl-6-oxo-1H-pyrimidin-5-yl)acetamide;ethane
CID 143940630
2,3-Dimethyl-5-propan-2-ylpyrimidin-4-one
CID 146614342

Frequently Asked Questions

What is the IUPAC name of 2-(1,2-dimethyl-6-oxopyrimidin-5-yl)ethanimidamide?
The IUPAC name of 2-(1,2-dimethyl-6-oxopyrimidin-5-yl)ethanimidamide (CID 83875415) is 2-(1,2-dimethyl-6-oxopyrimidin-5-yl)ethanimidamide.
What is the SMILES notation for 2-(1,2-dimethyl-6-oxopyrimidin-5-yl)ethanimidamide?
The canonical SMILES for 2-(1,2-dimethyl-6-oxopyrimidin-5-yl)ethanimidamide is [H]/N=C(\N)Cc1cnc(C)n(C)c1=O.
What is the InChIKey of 2-(1,2-dimethyl-6-oxopyrimidin-5-yl)ethanimidamide?
The InChIKey is HZGHZEUAQFRFBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4O/c1-5-11-4-6(3-7(9)10)8(13)12(5)2/h4H,3H2,1-2H3,(H3,9,10).
What are the key properties of 2-(1,2-dimethyl-6-oxopyrimidin-5-yl)ethanimidamide?
2-(1,2-dimethyl-6-oxopyrimidin-5-yl)ethanimidamide has a molecular weight of 180.21 g/mol, XLogP of -0.43, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2-dimethyl-6-oxopyrimidin-5-yl)ethanimidamide is sourced from PubChem (CID 83875415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).