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

C11H18N4O2 — CID 137016251

IUPACN-methyl-2-[(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]propanamide
SMILESCNC(=O)C(C)Nc1cc(=O)[nH]c(C(C)C)n1
InChIInChI=1S/C11H18N4O2/c1-6(2)10-14-8(5-9(16)15-10)13-7(3)11(17)12-4/h5-7H,1-4H3,(H,12,17)(H2,13,14,15,16)
InChIKeySKVHZDPZIRUVMR-UHFFFAOYSA-N
MW238.29 g/mol
LogP0.44
Rot. Bonds4

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

N-methyl-2-[(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]propanamide (PubChem CID 137016251) has the molecular formula C11H18N4O2 and a molecular weight of 238.29 g/mol. Its IUPAC name is N-methyl-2-[(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]propanamide.

Molecular Properties

Compound NameN-methyl-2-[(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]propanamide
PubChem CID137016251
Molecular FormulaC11H18N4O2
Molecular Weight238.29 g/mol
Exact Mass238.14
IUPAC NameN-methyl-2-[(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]propanamide
SMILESCNC(=O)C(C)Nc1cc(=O)[nH]c(C(C)C)n1
InChIInChI=1S/C11H18N4O2/c1-6(2)10-14-8(5-9(16)15-10)13-7(3)11(17)12-4/h5-7H,1-4H3,(H,12,17)(H2,13,14,15,16)
InChIKeySKVHZDPZIRUVMR-UHFFFAOYSA-N
XLogP0.44
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 50.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-2-[(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]propanamide
CID 136976813
2-methyl-3-[(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]butanoic acid
CID 137015941
4-(4-hydroxypentan-2-ylamino)-2-propan-2-yl-1H-pyrimidin-6-one
CID 137016620
methyl 3-hydroxy-2-[(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]propanoate
CID 137007516
2-[(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]acetamide
CID 136973538
methyl 2-[(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]acetate
CID 136973721
2-[(6-chloro-2-propan-2-ylpyrimidin-4-yl)amino]-N-methylpropanamide
CID 80953864
4-[1-(4-bromophenyl)ethylamino]-2-propan-2-yl-1H-pyrimidin-6-one
CID 136974919
4-(octan-4-ylamino)-2-propan-2-yl-1H-pyrimidin-6-one
CID 136731501
2-ethyl-2-[(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]butanoic acid
CID 136959297
2-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]-N-propan-2-ylpropanamide
CID 136976806
4-(2,2-difluoroethylamino)-2-propan-2-yl-1H-pyrimidin-6-one
CID 136976580

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]propanamide?
The IUPAC name of N-methyl-2-[(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]propanamide (CID 137016251) is N-methyl-2-[(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]propanamide.
What is the SMILES notation for N-methyl-2-[(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]propanamide?
The canonical SMILES for N-methyl-2-[(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]propanamide is CNC(=O)C(C)Nc1cc(=O)[nH]c(C(C)C)n1.
What is the InChIKey of N-methyl-2-[(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]propanamide?
The InChIKey is SKVHZDPZIRUVMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O2/c1-6(2)10-14-8(5-9(16)15-10)13-7(3)11(17)12-4/h5-7H,1-4H3,(H,12,17)(H2,13,14,15,16).
What are the key properties of N-methyl-2-[(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]propanamide?
N-methyl-2-[(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]propanamide has a molecular weight of 238.29 g/mol, XLogP of 0.44, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]propanamide is sourced from PubChem (CID 137016251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).