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

C14H22N4O2 — CID 137148862

IUPAC2-methyl-N-[4-methyl-5-(2-methylbutylideneamino)-6-oxo-1H-pyrimidin-2-yl]propanamide
SMILESCCC(C)/C=N/c1c(C)nc(NC(=O)C(C)C)[nH]c1=O
InChIInChI=1S/C14H22N4O2/c1-6-9(4)7-15-11-10(5)16-14(18-13(11)20)17-12(19)8(2)3/h7-9H,6H2,1-5H3,(H2,16,17,18,19,20)/b15-7+
InChIKeyJAJCRCJSIXIZMR-VIZOYTHASA-N
MW278.36 g/mol
LogP2.42
Rot. Bonds5

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

2-methyl-N-[4-methyl-5-(2-methylbutylideneamino)-6-oxo-1H-pyrimidin-2-yl]propanamide (PubChem CID 137148862) has the molecular formula C14H22N4O2 and a molecular weight of 278.36 g/mol. Its IUPAC name is 2-methyl-N-[4-methyl-5-(2-methylbutylideneamino)-6-oxo-1H-pyrimidin-2-yl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[4-methyl-5-(2-methylbutylideneamino)-6-oxo-1H-pyrimidin-2-yl]propanamide
PubChem CID137148862
Molecular FormulaC14H22N4O2
Molecular Weight278.36 g/mol
Exact Mass278.17
IUPAC Name2-methyl-N-[4-methyl-5-(2-methylbutylideneamino)-6-oxo-1H-pyrimidin-2-yl]propanamide
SMILESCCC(C)/C=N/c1c(C)nc(NC(=O)C(C)C)[nH]c1=O
InChIInChI=1S/C14H22N4O2/c1-6-9(4)7-15-11-10(5)16-14(18-13(11)20)17-12(19)8(2)3/h7-9H,6H2,1-5H3,(H2,16,17,18,19,20)/b15-7+
InChIKeyJAJCRCJSIXIZMR-VIZOYTHASA-N
XLogP2.42
TPSA87.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 52.42
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 2-methyl-N-[4-methyl-5-(2-methylbutylideneamino)-6-oxo-1H-pyrimidin-2-yl]propanamide?
The IUPAC name of 2-methyl-N-[4-methyl-5-(2-methylbutylideneamino)-6-oxo-1H-pyrimidin-2-yl]propanamide (CID 137148862) is 2-methyl-N-[4-methyl-5-(2-methylbutylideneamino)-6-oxo-1H-pyrimidin-2-yl]propanamide.
What is the SMILES notation for 2-methyl-N-[4-methyl-5-(2-methylbutylideneamino)-6-oxo-1H-pyrimidin-2-yl]propanamide?
The canonical SMILES for 2-methyl-N-[4-methyl-5-(2-methylbutylideneamino)-6-oxo-1H-pyrimidin-2-yl]propanamide is CCC(C)/C=N/c1c(C)nc(NC(=O)C(C)C)[nH]c1=O.
What is the InChIKey of 2-methyl-N-[4-methyl-5-(2-methylbutylideneamino)-6-oxo-1H-pyrimidin-2-yl]propanamide?
The InChIKey is JAJCRCJSIXIZMR-VIZOYTHASA-N. The full InChI is InChI=1S/C14H22N4O2/c1-6-9(4)7-15-11-10(5)16-14(18-13(11)20)17-12(19)8(2)3/h7-9H,6H2,1-5H3,(H2,16,17,18,19,20)/b15-7+.
What are the key properties of 2-methyl-N-[4-methyl-5-(2-methylbutylideneamino)-6-oxo-1H-pyrimidin-2-yl]propanamide?
2-methyl-N-[4-methyl-5-(2-methylbutylideneamino)-6-oxo-1H-pyrimidin-2-yl]propanamide has a molecular weight of 278.36 g/mol, XLogP of 2.42, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[4-methyl-5-(2-methylbutylideneamino)-6-oxo-1H-pyrimidin-2-yl]propanamide is sourced from PubChem (CID 137148862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).