N-(2,4-diamino-6-oxo-1H-pyrimidin-5-yl)propanamide

C7H11N5O2 — CID 137243182

IUPACN-(2,4-diamino-6-oxo-1H-pyrimidin-5-yl)propanamide
SMILESCCC(=O)Nc1c(N)nc(N)[nH]c1=O
InChIInChI=1S/C7H11N5O2/c1-2-3(13)10-4-5(8)11-7(9)12-6(4)14/h2H2,1H3,(H,10,13)(H5,8,9,11,12,14)
InChIKeyLLEDBTAPDWXJEM-UHFFFAOYSA-N
MW197.20 g/mol
LogP-0.72
Rot. Bonds2

About N-(2,4-diamino-6-oxo-1H-pyrimidin-5-yl)propanamide

N-(2,4-diamino-6-oxo-1H-pyrimidin-5-yl)propanamide (PubChem CID 137243182) has the molecular formula C7H11N5O2 and a molecular weight of 197.20 g/mol. Its IUPAC name is N-(2,4-diamino-6-oxo-1H-pyrimidin-5-yl)propanamide.

Molecular Properties

Compound NameN-(2,4-diamino-6-oxo-1H-pyrimidin-5-yl)propanamide
PubChem CID137243182
Molecular FormulaC7H11N5O2
Molecular Weight197.20 g/mol
Exact Mass197.09
IUPAC NameN-(2,4-diamino-6-oxo-1H-pyrimidin-5-yl)propanamide
SMILESCCC(=O)Nc1c(N)nc(N)[nH]c1=O
InChIInChI=1S/C7H11N5O2/c1-2-3(13)10-4-5(8)11-7(9)12-6(4)14/h2H2,1H3,(H,10,13)(H5,8,9,11,12,14)
InChIKeyLLEDBTAPDWXJEM-UHFFFAOYSA-N
XLogP-0.72
TPSA126.89 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.20
LogP ≤ 5-0.72
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2,4-diamino-6-oxo-1H-pyrimidin-5-yl)propanamide?
The IUPAC name of N-(2,4-diamino-6-oxo-1H-pyrimidin-5-yl)propanamide (CID 137243182) is N-(2,4-diamino-6-oxo-1H-pyrimidin-5-yl)propanamide.
What is the SMILES notation for N-(2,4-diamino-6-oxo-1H-pyrimidin-5-yl)propanamide?
The canonical SMILES for N-(2,4-diamino-6-oxo-1H-pyrimidin-5-yl)propanamide is CCC(=O)Nc1c(N)nc(N)[nH]c1=O.
What is the InChIKey of N-(2,4-diamino-6-oxo-1H-pyrimidin-5-yl)propanamide?
The InChIKey is LLEDBTAPDWXJEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N5O2/c1-2-3(13)10-4-5(8)11-7(9)12-6(4)14/h2H2,1H3,(H,10,13)(H5,8,9,11,12,14).
What are the key properties of N-(2,4-diamino-6-oxo-1H-pyrimidin-5-yl)propanamide?
N-(2,4-diamino-6-oxo-1H-pyrimidin-5-yl)propanamide has a molecular weight of 197.20 g/mol, XLogP of -0.72, 2 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-diamino-6-oxo-1H-pyrimidin-5-yl)propanamide is sourced from PubChem (CID 137243182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).