N-[3-(2-amino-4-methyl-6-oxo-1H-pyrimidin-5-yl)propyl]acetamide

C10H16N4O2 — CID 135463848

IUPACN-[3-(2-amino-4-methyl-6-oxo-1H-pyrimidin-5-yl)propyl]acetamide
SMILESCC(=O)NCCCc1c(C)nc(N)[nH]c1=O
InChIInChI=1S/C10H16N4O2/c1-6-8(4-3-5-12-7(2)15)9(16)14-10(11)13-6/h3-5H2,1-2H3,(H,12,15)(H3,11,13,14,16)
InChIKeySDFHNMNWRPSSRH-UHFFFAOYSA-N
MW224.26 g/mol
LogP-0.27
Rot. Bonds4

About N-[3-(2-amino-4-methyl-6-oxo-1H-pyrimidin-5-yl)propyl]acetamide

N-[3-(2-amino-4-methyl-6-oxo-1H-pyrimidin-5-yl)propyl]acetamide (PubChem CID 135463848) has the molecular formula C10H16N4O2 and a molecular weight of 224.26 g/mol. Its IUPAC name is N-[3-(2-amino-4-methyl-6-oxo-1H-pyrimidin-5-yl)propyl]acetamide.

Molecular Properties

Compound NameN-[3-(2-amino-4-methyl-6-oxo-1H-pyrimidin-5-yl)propyl]acetamide
PubChem CID135463848
Molecular FormulaC10H16N4O2
Molecular Weight224.26 g/mol
Exact Mass224.13
IUPAC NameN-[3-(2-amino-4-methyl-6-oxo-1H-pyrimidin-5-yl)propyl]acetamide
SMILESCC(=O)NCCCc1c(C)nc(N)[nH]c1=O
InChIInChI=1S/C10H16N4O2/c1-6-8(4-3-5-12-7(2)15)9(16)14-10(11)13-6/h3-5H2,1-2H3,(H,12,15)(H3,11,13,14,16)
InChIKeySDFHNMNWRPSSRH-UHFFFAOYSA-N
XLogP-0.27
TPSA100.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 5-0.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[3-(2-amino-4-methyl-6-oxo-1H-pyrimidin-5-yl)propyl]acetamide?
The IUPAC name of N-[3-(2-amino-4-methyl-6-oxo-1H-pyrimidin-5-yl)propyl]acetamide (CID 135463848) is N-[3-(2-amino-4-methyl-6-oxo-1H-pyrimidin-5-yl)propyl]acetamide.
What is the SMILES notation for N-[3-(2-amino-4-methyl-6-oxo-1H-pyrimidin-5-yl)propyl]acetamide?
The canonical SMILES for N-[3-(2-amino-4-methyl-6-oxo-1H-pyrimidin-5-yl)propyl]acetamide is CC(=O)NCCCc1c(C)nc(N)[nH]c1=O.
What is the InChIKey of N-[3-(2-amino-4-methyl-6-oxo-1H-pyrimidin-5-yl)propyl]acetamide?
The InChIKey is SDFHNMNWRPSSRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O2/c1-6-8(4-3-5-12-7(2)15)9(16)14-10(11)13-6/h3-5H2,1-2H3,(H,12,15)(H3,11,13,14,16).
What are the key properties of N-[3-(2-amino-4-methyl-6-oxo-1H-pyrimidin-5-yl)propyl]acetamide?
N-[3-(2-amino-4-methyl-6-oxo-1H-pyrimidin-5-yl)propyl]acetamide has a molecular weight of 224.26 g/mol, XLogP of -0.27, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-amino-4-methyl-6-oxo-1H-pyrimidin-5-yl)propyl]acetamide is sourced from PubChem (CID 135463848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).