5-amino-N-(4-methylcyclohexyl)-4-methylidene-2-oxo-1H-pyrimidine-6-carboxamide

C13H20N4O2 — CID 118543351

IUPAC5-amino-N-(4-methylcyclohexyl)-4-methylidene-2-oxo-1H-pyrimidine-6-carboxamide
SMILESC=C1NC(=O)NC(C(=O)NC2CCC(C)CC2)=C1N
InChIInChI=1S/C13H20N4O2/c1-7-3-5-9(6-4-7)16-12(18)11-10(14)8(2)15-13(19)17-11/h7,9H,2-6,14H2,1H3,(H,16,18)(H2,15,17,19)
InChIKeyUHARKJBOOPEYHV-UHFFFAOYSA-N
MW264.33 g/mol
LogP0.68
Rot. Bonds2

About 5-amino-N-(4-methylcyclohexyl)-4-methylidene-2-oxo-1H-pyrimidine-6-carboxamide

5-amino-N-(4-methylcyclohexyl)-4-methylidene-2-oxo-1H-pyrimidine-6-carboxamide (PubChem CID 118543351) has the molecular formula C13H20N4O2 and a molecular weight of 264.33 g/mol. Its IUPAC name is 5-amino-N-(4-methylcyclohexyl)-4-methylidene-2-oxo-1H-pyrimidine-6-carboxamide.

Molecular Properties

Compound Name5-amino-N-(4-methylcyclohexyl)-4-methylidene-2-oxo-1H-pyrimidine-6-carboxamide
PubChem CID118543351
Molecular FormulaC13H20N4O2
Molecular Weight264.33 g/mol
Exact Mass264.16
IUPAC Name5-amino-N-(4-methylcyclohexyl)-4-methylidene-2-oxo-1H-pyrimidine-6-carboxamide
SMILESC=C1NC(=O)NC(C(=O)NC2CCC(C)CC2)=C1N
InChIInChI=1S/C13H20N4O2/c1-7-3-5-9(6-4-7)16-12(18)11-10(14)8(2)15-13(19)17-11/h7,9H,2-6,14H2,1H3,(H,16,18)(H2,15,17,19)
InChIKeyUHARKJBOOPEYHV-UHFFFAOYSA-N
XLogP0.68
TPSA96.25 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 50.68
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(4-methylcyclohexyl)-4-methylidene-2-oxo-1H-pyrimidine-6-carboxamide?
The IUPAC name of 5-amino-N-(4-methylcyclohexyl)-4-methylidene-2-oxo-1H-pyrimidine-6-carboxamide (CID 118543351) is 5-amino-N-(4-methylcyclohexyl)-4-methylidene-2-oxo-1H-pyrimidine-6-carboxamide.
What is the SMILES notation for 5-amino-N-(4-methylcyclohexyl)-4-methylidene-2-oxo-1H-pyrimidine-6-carboxamide?
The canonical SMILES for 5-amino-N-(4-methylcyclohexyl)-4-methylidene-2-oxo-1H-pyrimidine-6-carboxamide is C=C1NC(=O)NC(C(=O)NC2CCC(C)CC2)=C1N.
What is the InChIKey of 5-amino-N-(4-methylcyclohexyl)-4-methylidene-2-oxo-1H-pyrimidine-6-carboxamide?
The InChIKey is UHARKJBOOPEYHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2/c1-7-3-5-9(6-4-7)16-12(18)11-10(14)8(2)15-13(19)17-11/h7,9H,2-6,14H2,1H3,(H,16,18)(H2,15,17,19).
What are the key properties of 5-amino-N-(4-methylcyclohexyl)-4-methylidene-2-oxo-1H-pyrimidine-6-carboxamide?
5-amino-N-(4-methylcyclohexyl)-4-methylidene-2-oxo-1H-pyrimidine-6-carboxamide has a molecular weight of 264.33 g/mol, XLogP of 0.68, 2 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(4-methylcyclohexyl)-4-methylidene-2-oxo-1H-pyrimidine-6-carboxamide is sourced from PubChem (CID 118543351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).