2-(2-aminoethyl)-5-propyl-1H-pyrimidine-4,6-dione

C9H15N3O2 — CID 76998159

IUPAC2-(2-aminoethyl)-5-propyl-1H-pyrimidine-4,6-dione
SMILESCCCC1C(=O)N=C(CCN)NC1=O
InChIInChI=1S/C9H15N3O2/c1-2-3-6-8(13)11-7(4-5-10)12-9(6)14/h6H,2-5,10H2,1H3,(H,11,12,13,14)
InChIKeyNLQOPPOPSWJCON-UHFFFAOYSA-N
MW197.24 g/mol
LogP-0.19
Rot. Bonds4

About 2-(2-aminoethyl)-5-propyl-1H-pyrimidine-4,6-dione

2-(2-aminoethyl)-5-propyl-1H-pyrimidine-4,6-dione (PubChem CID 76998159) has the molecular formula C9H15N3O2 and a molecular weight of 197.24 g/mol. Its IUPAC name is 2-(2-aminoethyl)-5-propyl-1H-pyrimidine-4,6-dione.

Molecular Properties

Compound Name2-(2-aminoethyl)-5-propyl-1H-pyrimidine-4,6-dione
PubChem CID76998159
Molecular FormulaC9H15N3O2
Molecular Weight197.24 g/mol
Exact Mass197.12
IUPAC Name2-(2-aminoethyl)-5-propyl-1H-pyrimidine-4,6-dione
SMILESCCCC1C(=O)N=C(CCN)NC1=O
InChIInChI=1S/C9H15N3O2/c1-2-3-6-8(13)11-7(4-5-10)12-9(6)14/h6H,2-5,10H2,1H3,(H,11,12,13,14)
InChIKeyNLQOPPOPSWJCON-UHFFFAOYSA-N
XLogP-0.19
TPSA84.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 5-0.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

5-fluoro-2-piperidin-3-yl-1H-pyrimidine-4,6-dione
CID 80550883
2,5-diethyl-1H-pyrimidine-4,6-dione
CID 58730533
3-(6-oxo-4,5-dihydro-1H-pyrimidin-2-yl)pentane-2,4-dione
CID 58934368
2-methyl-5-piperidin-4-yl-1H-pyrimidine-4,6-dione
CID 59505089
(4S)-5-[1-[2-(dimethylamino)ethyl]-4,6-dioxopyrimidin-2-yl]-N,4-dimethylpentanamide
CID 90230592
3-amino-N-(5-methyl-2,3,4,5-tetrahydropyridin-6-yl)propanamide
CID 91076526
4-methyl-2-pentan-2-yl-4,5-dihydro-1H-pyrimidin-6-one
CID 123410253
2-methyl-4a,5,6,7-tetrahydro-3H-pyrido[2,3-d]pyrimidin-4-one
CID 140735915
2-butan-2-yl-4,5-dihydro-1H-pyrimidin-6-one
CID 164053355
2,5-di(propan-2-yl)-1H-pyrimidine-4,6-dione
CID 172096036
2-(2-Aminoethyl)-5-methylpyrimidine-4,6(1H,5H)-dione
CID 71757361
2,2,3,3-tetramethyl-N-[2-(5-methyl-4,6-dioxo-1H-pyrimidin-2-yl)ethyl]cyclopropane-1-carboxamide
CID 71905699

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethyl)-5-propyl-1H-pyrimidine-4,6-dione?
The IUPAC name of 2-(2-aminoethyl)-5-propyl-1H-pyrimidine-4,6-dione (CID 76998159) is 2-(2-aminoethyl)-5-propyl-1H-pyrimidine-4,6-dione.
What is the SMILES notation for 2-(2-aminoethyl)-5-propyl-1H-pyrimidine-4,6-dione?
The canonical SMILES for 2-(2-aminoethyl)-5-propyl-1H-pyrimidine-4,6-dione is CCCC1C(=O)N=C(CCN)NC1=O.
What is the InChIKey of 2-(2-aminoethyl)-5-propyl-1H-pyrimidine-4,6-dione?
The InChIKey is NLQOPPOPSWJCON-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2/c1-2-3-6-8(13)11-7(4-5-10)12-9(6)14/h6H,2-5,10H2,1H3,(H,11,12,13,14).
What are the key properties of 2-(2-aminoethyl)-5-propyl-1H-pyrimidine-4,6-dione?
2-(2-aminoethyl)-5-propyl-1H-pyrimidine-4,6-dione has a molecular weight of 197.24 g/mol, XLogP of -0.19, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethyl)-5-propyl-1H-pyrimidine-4,6-dione is sourced from PubChem (CID 76998159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).