2-[3-(diethylamino)propylamino]-4-ethyl-1H-pyrimidin-6-one

C13H24N4O — CID 136779917

IUPAC2-[3-(diethylamino)propylamino]-4-ethyl-1H-pyrimidin-6-one
SMILESCCc1cc(=O)[nH]c(NCCCN(CC)CC)n1
InChIInChI=1S/C13H24N4O/c1-4-11-10-12(18)16-13(15-11)14-8-7-9-17(5-2)6-3/h10H,4-9H2,1-3H3,(H2,14,15,16,18)
InChIKeyZSJNJYMUZVTNOU-UHFFFAOYSA-N
MW252.36 g/mol
LogP1.48
Rot. Bonds8

About 2-[3-(diethylamino)propylamino]-4-ethyl-1H-pyrimidin-6-one

2-[3-(diethylamino)propylamino]-4-ethyl-1H-pyrimidin-6-one (PubChem CID 136779917) has the molecular formula C13H24N4O and a molecular weight of 252.36 g/mol. Its IUPAC name is 2-[3-(diethylamino)propylamino]-4-ethyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[3-(diethylamino)propylamino]-4-ethyl-1H-pyrimidin-6-one
PubChem CID136779917
Molecular FormulaC13H24N4O
Molecular Weight252.36 g/mol
Exact Mass252.20
IUPAC Name2-[3-(diethylamino)propylamino]-4-ethyl-1H-pyrimidin-6-one
SMILESCCc1cc(=O)[nH]c(NCCCN(CC)CC)n1
InChIInChI=1S/C13H24N4O/c1-4-11-10-12(18)16-13(15-11)14-8-7-9-17(5-2)6-3/h10H,4-9H2,1-3H3,(H2,14,15,16,18)
InChIKeyZSJNJYMUZVTNOU-UHFFFAOYSA-N
XLogP1.48
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(3-butoxypropylamino)-4-ethyl-1H-pyrimidin-6-one
CID 136779616
2-(butylamino)-4-propan-2-yl-1H-pyrimidin-6-one
CID 136779799
N-(2-chloro-6-ethylpyrimidin-4-yl)-N',N'-diethylpropane-1,3-diamine
CID 82460551
N',N'-diethyl-N-(1H-1,2,4-triazol-5-yl)propane-1,3-diamine
CID 83813459
2-[3-(diethylamino)propylamino]-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one
CID 136779915
2-(5-hydroxypentylamino)-4-propan-2-yl-1H-pyrimidin-6-one
CID 136780006
N',N'-diethyl-N-(4-ethyl-1,3-thiazol-2-yl)propane-1,3-diamine
CID 62963177
2-(6-aminohexylamino)-4-(ethylsulfanylmethyl)-1H-pyrimidin-6-one
CID 136925294
2-(2-hydroxyethylamino)-4-(methoxymethyl)-1H-pyrimidin-6-one
CID 135631209
2-(5-chloro-2-methylanilino)-4-ethyl-1H-pyrimidin-6-one
CID 136778628
2-(6-aminohexylamino)-4-propan-2-yl-1H-pyrimidin-6-one
CID 136925187
4-ethyl-2-[[2-hydroxyethyl(propyl)amino]methyl]-1H-pyrimidin-6-one
CID 136802055

Frequently Asked Questions

What is the IUPAC name of 2-[3-(diethylamino)propylamino]-4-ethyl-1H-pyrimidin-6-one?
The IUPAC name of 2-[3-(diethylamino)propylamino]-4-ethyl-1H-pyrimidin-6-one (CID 136779917) is 2-[3-(diethylamino)propylamino]-4-ethyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[3-(diethylamino)propylamino]-4-ethyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-[3-(diethylamino)propylamino]-4-ethyl-1H-pyrimidin-6-one is CCc1cc(=O)[nH]c(NCCCN(CC)CC)n1.
What is the InChIKey of 2-[3-(diethylamino)propylamino]-4-ethyl-1H-pyrimidin-6-one?
The InChIKey is ZSJNJYMUZVTNOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O/c1-4-11-10-12(18)16-13(15-11)14-8-7-9-17(5-2)6-3/h10H,4-9H2,1-3H3,(H2,14,15,16,18).
What are the key properties of 2-[3-(diethylamino)propylamino]-4-ethyl-1H-pyrimidin-6-one?
2-[3-(diethylamino)propylamino]-4-ethyl-1H-pyrimidin-6-one has a molecular weight of 252.36 g/mol, XLogP of 1.48, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(diethylamino)propylamino]-4-ethyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136779917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).