N-(2-acetamido-6-oxo-4,5-dihydro-1H-pyrimidin-5-yl)-3-amino-N-methylpropanamide

C10H17N5O3 — CID 59093099

IUPACN-(2-acetamido-6-oxo-4,5-dihydro-1H-pyrimidin-5-yl)-3-amino-N-methylpropanamide
SMILESCC(=O)NC1=NCC(N(C)C(=O)CCN)C(=O)N1
InChIInChI=1S/C10H17N5O3/c1-6(16)13-10-12-5-7(9(18)14-10)15(2)8(17)3-4-11/h7H,3-5,11H2,1-2H3,(H2,12,13,14,16,18)
InChIKeyFBFITTIJIBIBON-UHFFFAOYSA-N
MW255.28 g/mol
LogP-2.22
Rot. Bonds3

About N-(2-acetamido-6-oxo-4,5-dihydro-1H-pyrimidin-5-yl)-3-amino-N-methylpropanamide

N-(2-acetamido-6-oxo-4,5-dihydro-1H-pyrimidin-5-yl)-3-amino-N-methylpropanamide (PubChem CID 59093099) has the molecular formula C10H17N5O3 and a molecular weight of 255.28 g/mol. Its IUPAC name is N-(2-acetamido-6-oxo-4,5-dihydro-1H-pyrimidin-5-yl)-3-amino-N-methylpropanamide.

Molecular Properties

Compound NameN-(2-acetamido-6-oxo-4,5-dihydro-1H-pyrimidin-5-yl)-3-amino-N-methylpropanamide
PubChem CID59093099
Molecular FormulaC10H17N5O3
Molecular Weight255.28 g/mol
Exact Mass255.13
IUPAC NameN-(2-acetamido-6-oxo-4,5-dihydro-1H-pyrimidin-5-yl)-3-amino-N-methylpropanamide
SMILESCC(=O)NC1=NCC(N(C)C(=O)CCN)C(=O)N1
InChIInChI=1S/C10H17N5O3/c1-6(16)13-10-12-5-7(9(18)14-10)15(2)8(17)3-4-11/h7H,3-5,11H2,1-2H3,(H2,12,13,14,16,18)
InChIKeyFBFITTIJIBIBON-UHFFFAOYSA-N
XLogP-2.22
TPSA116.89 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 5-2.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-acetamido-6-oxo-4,5-dihydro-1H-pyrimidin-5-yl)-3-amino-N-methylpropanamide?
The IUPAC name of N-(2-acetamido-6-oxo-4,5-dihydro-1H-pyrimidin-5-yl)-3-amino-N-methylpropanamide (CID 59093099) is N-(2-acetamido-6-oxo-4,5-dihydro-1H-pyrimidin-5-yl)-3-amino-N-methylpropanamide.
What is the SMILES notation for N-(2-acetamido-6-oxo-4,5-dihydro-1H-pyrimidin-5-yl)-3-amino-N-methylpropanamide?
The canonical SMILES for N-(2-acetamido-6-oxo-4,5-dihydro-1H-pyrimidin-5-yl)-3-amino-N-methylpropanamide is CC(=O)NC1=NCC(N(C)C(=O)CCN)C(=O)N1.
What is the InChIKey of N-(2-acetamido-6-oxo-4,5-dihydro-1H-pyrimidin-5-yl)-3-amino-N-methylpropanamide?
The InChIKey is FBFITTIJIBIBON-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5O3/c1-6(16)13-10-12-5-7(9(18)14-10)15(2)8(17)3-4-11/h7H,3-5,11H2,1-2H3,(H2,12,13,14,16,18).
What are the key properties of N-(2-acetamido-6-oxo-4,5-dihydro-1H-pyrimidin-5-yl)-3-amino-N-methylpropanamide?
N-(2-acetamido-6-oxo-4,5-dihydro-1H-pyrimidin-5-yl)-3-amino-N-methylpropanamide has a molecular weight of 255.28 g/mol, XLogP of -2.22, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-acetamido-6-oxo-4,5-dihydro-1H-pyrimidin-5-yl)-3-amino-N-methylpropanamide is sourced from PubChem (CID 59093099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).