N-methyl-3-[methyl-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]propanamide

C12H20N4O2 — CID 136914213

IUPACN-methyl-3-[methyl-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]propanamide
SMILESCNC(=O)CCN(C)c1cc(=O)[nH]c(C(C)C)n1
InChIInChI=1S/C12H20N4O2/c1-8(2)12-14-9(7-11(18)15-12)16(4)6-5-10(17)13-3/h7-8H,5-6H2,1-4H3,(H,13,17)(H,14,15,18)
InChIKeyVLQHHOBCSJXUMC-UHFFFAOYSA-N
MW252.32 g/mol
LogP0.47
Rot. Bonds5

About N-methyl-3-[methyl-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]propanamide

N-methyl-3-[methyl-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]propanamide (PubChem CID 136914213) has the molecular formula C12H20N4O2 and a molecular weight of 252.32 g/mol. Its IUPAC name is N-methyl-3-[methyl-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]propanamide.

Molecular Properties

Compound NameN-methyl-3-[methyl-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]propanamide
PubChem CID136914213
Molecular FormulaC12H20N4O2
Molecular Weight252.32 g/mol
Exact Mass252.16
IUPAC NameN-methyl-3-[methyl-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]propanamide
SMILESCNC(=O)CCN(C)c1cc(=O)[nH]c(C(C)C)n1
InChIInChI=1S/C12H20N4O2/c1-8(2)12-14-9(7-11(18)15-12)16(4)6-5-10(17)13-3/h7-8H,5-6H2,1-4H3,(H,13,17)(H,14,15,18)
InChIKeyVLQHHOBCSJXUMC-UHFFFAOYSA-N
XLogP0.47
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-3-[methyl-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]propanamide?
The IUPAC name of N-methyl-3-[methyl-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]propanamide (CID 136914213) is N-methyl-3-[methyl-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]propanamide.
What is the SMILES notation for N-methyl-3-[methyl-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]propanamide?
The canonical SMILES for N-methyl-3-[methyl-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]propanamide is CNC(=O)CCN(C)c1cc(=O)[nH]c(C(C)C)n1.
What is the InChIKey of N-methyl-3-[methyl-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]propanamide?
The InChIKey is VLQHHOBCSJXUMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2/c1-8(2)12-14-9(7-11(18)15-12)16(4)6-5-10(17)13-3/h7-8H,5-6H2,1-4H3,(H,13,17)(H,14,15,18).
What are the key properties of N-methyl-3-[methyl-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]propanamide?
N-methyl-3-[methyl-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]propanamide has a molecular weight of 252.32 g/mol, XLogP of 0.47, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-[methyl-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]propanamide is sourced from PubChem (CID 136914213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).