2-[3-(diethylamino)propylamino]-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one

C14H24N4O — CID 136779915

IUPAC2-[3-(diethylamino)propylamino]-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one
SMILESCCN(CC)CCCNc1nc2c(c(=O)[nH]1)CCC2
InChIInChI=1S/C14H24N4O/c1-3-18(4-2)10-6-9-15-14-16-12-8-5-7-11(12)13(19)17-14/h3-10H2,1-2H3,(H2,15,16,17,19)
InChIKeyQIDYHBFFXKZFHE-UHFFFAOYSA-N
MW264.37 g/mol
LogP1.40
Rot. Bonds7

About 2-[3-(diethylamino)propylamino]-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one

2-[3-(diethylamino)propylamino]-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one (PubChem CID 136779915) has the molecular formula C14H24N4O and a molecular weight of 264.37 g/mol. Its IUPAC name is 2-[3-(diethylamino)propylamino]-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one.

Molecular Properties

Compound Name2-[3-(diethylamino)propylamino]-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one
PubChem CID136779915
Molecular FormulaC14H24N4O
Molecular Weight264.37 g/mol
Exact Mass264.20
IUPAC Name2-[3-(diethylamino)propylamino]-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one
SMILESCCN(CC)CCCNc1nc2c(c(=O)[nH]1)CCC2
InChIInChI=1S/C14H24N4O/c1-3-18(4-2)10-6-9-15-14-16-12-8-5-7-11(12)13(19)17-14/h3-10H2,1-2H3,(H2,15,16,17,19)
InChIKeyQIDYHBFFXKZFHE-UHFFFAOYSA-N
XLogP1.40
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 51.40
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-(pentylamino)-5,6,7,8-tetrahydro-3H-quinazolin-4-one
CID 136779858
2-(3-ethoxypropylamino)-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one
CID 136779964
2-(3-butoxypropylamino)-5,6,7,8-tetrahydro-3H-quinazolin-4-one
CID 136779618
N-(2-chloro-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-N',N'-diethylpropane-1,3-diamine
CID 82460678
2-[3-(diethylamino)propylamino]-4-ethyl-1H-pyrimidin-6-one
CID 136779917
2-(5-fluoro-2-methylanilino)-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one
CID 136741463
2-[(4-chlorophenyl)methylamino]-5,6,7,8-tetrahydro-3H-quinazolin-4-one
CID 135611942
2-(4-ethylanilino)-5,6,7,8-tetrahydro-3H-quinazolin-4-one
CID 135611961
2-[4-(diethylamino)-2-methylanilino]-5,6,7,8-tetrahydro-3H-quinazolin-4-one
CID 136779228
N',N'-diethyl-N-(1H-1,2,4-triazol-5-yl)propane-1,3-diamine
CID 83813459
2-butylsulfanyl-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one
CID 135504848
2-[[4-[(Z)-but-1-enyl]-5,6-dimethylpyrimidin-2-yl]amino]-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one;ethane
CID 143297560

Frequently Asked Questions

What is the IUPAC name of 2-[3-(diethylamino)propylamino]-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one?
The IUPAC name of 2-[3-(diethylamino)propylamino]-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one (CID 136779915) is 2-[3-(diethylamino)propylamino]-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one.
What is the SMILES notation for 2-[3-(diethylamino)propylamino]-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one?
The canonical SMILES for 2-[3-(diethylamino)propylamino]-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one is CCN(CC)CCCNc1nc2c(c(=O)[nH]1)CCC2.
What is the InChIKey of 2-[3-(diethylamino)propylamino]-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one?
The InChIKey is QIDYHBFFXKZFHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O/c1-3-18(4-2)10-6-9-15-14-16-12-8-5-7-11(12)13(19)17-14/h3-10H2,1-2H3,(H2,15,16,17,19).
What are the key properties of 2-[3-(diethylamino)propylamino]-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one?
2-[3-(diethylamino)propylamino]-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one has a molecular weight of 264.37 g/mol, XLogP of 1.40, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(diethylamino)propylamino]-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one is sourced from PubChem (CID 136779915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).