N-[5-(ethylideneamino)-4-methyl-6-oxo-1H-pyrimidin-2-yl]-2-methylpropanamide

C11H16N4O2 — CID 137148866

IUPACN-[5-(ethylideneamino)-4-methyl-6-oxo-1H-pyrimidin-2-yl]-2-methylpropanamide
SMILESC/C=N/c1c(C)nc(NC(=O)C(C)C)[nH]c1=O
InChIInChI=1S/C11H16N4O2/c1-5-12-8-7(4)13-11(15-10(8)17)14-9(16)6(2)3/h5-6H,1-4H3,(H2,13,14,15,16,17)/b12-5+
InChIKeyIYMJGHFOGWHSJB-LFYBBSHMSA-N
MW236.27 g/mol
LogP1.40
Rot. Bonds3

About N-[5-(ethylideneamino)-4-methyl-6-oxo-1H-pyrimidin-2-yl]-2-methylpropanamide

N-[5-(ethylideneamino)-4-methyl-6-oxo-1H-pyrimidin-2-yl]-2-methylpropanamide (PubChem CID 137148866) has the molecular formula C11H16N4O2 and a molecular weight of 236.27 g/mol. Its IUPAC name is N-[5-(ethylideneamino)-4-methyl-6-oxo-1H-pyrimidin-2-yl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[5-(ethylideneamino)-4-methyl-6-oxo-1H-pyrimidin-2-yl]-2-methylpropanamide
PubChem CID137148866
Molecular FormulaC11H16N4O2
Molecular Weight236.27 g/mol
Exact Mass236.13
IUPAC NameN-[5-(ethylideneamino)-4-methyl-6-oxo-1H-pyrimidin-2-yl]-2-methylpropanamide
SMILESC/C=N/c1c(C)nc(NC(=O)C(C)C)[nH]c1=O
InChIInChI=1S/C11H16N4O2/c1-5-12-8-7(4)13-11(15-10(8)17)14-9(16)6(2)3/h5-6H,1-4H3,(H2,13,14,15,16,17)/b12-5+
InChIKeyIYMJGHFOGWHSJB-LFYBBSHMSA-N
XLogP1.40
TPSA87.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[5-(ethylideneamino)-4-methyl-6-oxo-1H-pyrimidin-2-yl]-2-methylpropanamide?
The IUPAC name of N-[5-(ethylideneamino)-4-methyl-6-oxo-1H-pyrimidin-2-yl]-2-methylpropanamide (CID 137148866) is N-[5-(ethylideneamino)-4-methyl-6-oxo-1H-pyrimidin-2-yl]-2-methylpropanamide.
What is the SMILES notation for N-[5-(ethylideneamino)-4-methyl-6-oxo-1H-pyrimidin-2-yl]-2-methylpropanamide?
The canonical SMILES for N-[5-(ethylideneamino)-4-methyl-6-oxo-1H-pyrimidin-2-yl]-2-methylpropanamide is C/C=N/c1c(C)nc(NC(=O)C(C)C)[nH]c1=O.
What is the InChIKey of N-[5-(ethylideneamino)-4-methyl-6-oxo-1H-pyrimidin-2-yl]-2-methylpropanamide?
The InChIKey is IYMJGHFOGWHSJB-LFYBBSHMSA-N. The full InChI is InChI=1S/C11H16N4O2/c1-5-12-8-7(4)13-11(15-10(8)17)14-9(16)6(2)3/h5-6H,1-4H3,(H2,13,14,15,16,17)/b12-5+.
What are the key properties of N-[5-(ethylideneamino)-4-methyl-6-oxo-1H-pyrimidin-2-yl]-2-methylpropanamide?
N-[5-(ethylideneamino)-4-methyl-6-oxo-1H-pyrimidin-2-yl]-2-methylpropanamide has a molecular weight of 236.27 g/mol, XLogP of 1.40, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(ethylideneamino)-4-methyl-6-oxo-1H-pyrimidin-2-yl]-2-methylpropanamide is sourced from PubChem (CID 137148866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).