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

C13H21N5O2 — CID 137069333

IUPAC2-methyl-N-[5-(methylideneamino)-4-[methyl(propan-2-yl)amino]-6-oxo-1H-pyrimidin-2-yl]propanamide
SMILESC=Nc1c(N(C)C(C)C)nc(NC(=O)C(C)C)[nH]c1=O
InChIInChI=1S/C13H21N5O2/c1-7(2)11(19)16-13-15-10(18(6)8(3)4)9(14-5)12(20)17-13/h7-8H,5H2,1-4,6H3,(H2,15,16,17,19,20)
InChIKeyQVIRNKUMRIDHEF-UHFFFAOYSA-N
MW279.34 g/mol
LogP1.54
Rot. Bonds5

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

2-methyl-N-[5-(methylideneamino)-4-[methyl(propan-2-yl)amino]-6-oxo-1H-pyrimidin-2-yl]propanamide (PubChem CID 137069333) has the molecular formula C13H21N5O2 and a molecular weight of 279.34 g/mol. Its IUPAC name is 2-methyl-N-[5-(methylideneamino)-4-[methyl(propan-2-yl)amino]-6-oxo-1H-pyrimidin-2-yl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[5-(methylideneamino)-4-[methyl(propan-2-yl)amino]-6-oxo-1H-pyrimidin-2-yl]propanamide
PubChem CID137069333
Molecular FormulaC13H21N5O2
Molecular Weight279.34 g/mol
Exact Mass279.17
IUPAC Name2-methyl-N-[5-(methylideneamino)-4-[methyl(propan-2-yl)amino]-6-oxo-1H-pyrimidin-2-yl]propanamide
SMILESC=Nc1c(N(C)C(C)C)nc(NC(=O)C(C)C)[nH]c1=O
InChIInChI=1S/C13H21N5O2/c1-7(2)11(19)16-13-15-10(18(6)8(3)4)9(14-5)12(20)17-13/h7-8H,5H2,1-4,6H3,(H2,15,16,17,19,20)
InChIKeyQVIRNKUMRIDHEF-UHFFFAOYSA-N
XLogP1.54
TPSA90.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-[5-(methylideneamino)-4-[methyl(propan-2-yl)amino]-6-oxo-1H-pyrimidin-2-yl]propanamide?
The IUPAC name of 2-methyl-N-[5-(methylideneamino)-4-[methyl(propan-2-yl)amino]-6-oxo-1H-pyrimidin-2-yl]propanamide (CID 137069333) is 2-methyl-N-[5-(methylideneamino)-4-[methyl(propan-2-yl)amino]-6-oxo-1H-pyrimidin-2-yl]propanamide.
What is the SMILES notation for 2-methyl-N-[5-(methylideneamino)-4-[methyl(propan-2-yl)amino]-6-oxo-1H-pyrimidin-2-yl]propanamide?
The canonical SMILES for 2-methyl-N-[5-(methylideneamino)-4-[methyl(propan-2-yl)amino]-6-oxo-1H-pyrimidin-2-yl]propanamide is C=Nc1c(N(C)C(C)C)nc(NC(=O)C(C)C)[nH]c1=O.
What is the InChIKey of 2-methyl-N-[5-(methylideneamino)-4-[methyl(propan-2-yl)amino]-6-oxo-1H-pyrimidin-2-yl]propanamide?
The InChIKey is QVIRNKUMRIDHEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5O2/c1-7(2)11(19)16-13-15-10(18(6)8(3)4)9(14-5)12(20)17-13/h7-8H,5H2,1-4,6H3,(H2,15,16,17,19,20).
What are the key properties of 2-methyl-N-[5-(methylideneamino)-4-[methyl(propan-2-yl)amino]-6-oxo-1H-pyrimidin-2-yl]propanamide?
2-methyl-N-[5-(methylideneamino)-4-[methyl(propan-2-yl)amino]-6-oxo-1H-pyrimidin-2-yl]propanamide has a molecular weight of 279.34 g/mol, XLogP of 1.54, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[5-(methylideneamino)-4-[methyl(propan-2-yl)amino]-6-oxo-1H-pyrimidin-2-yl]propanamide is sourced from PubChem (CID 137069333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).