5-(2-aminoethyl)-4-ethyl-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-one

C11H17N3O — CID 83861720

IUPAC5-(2-aminoethyl)-4-ethyl-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-one
SMILESCCc1nc(=O)[nH]c2c1C(CCN)CC2
InChIInChI=1S/C11H17N3O/c1-2-8-10-7(5-6-12)3-4-9(10)14-11(15)13-8/h7H,2-6,12H2,1H3,(H,13,14,15)
InChIKeyVHZVKJPIVMNYRS-UHFFFAOYSA-N
MW207.28 g/mol
LogP0.71
Rot. Bonds3

About 5-(2-aminoethyl)-4-ethyl-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-one

5-(2-aminoethyl)-4-ethyl-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-one (PubChem CID 83861720) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is 5-(2-aminoethyl)-4-ethyl-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-one.

Molecular Properties

Compound Name5-(2-aminoethyl)-4-ethyl-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-one
PubChem CID83861720
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Name5-(2-aminoethyl)-4-ethyl-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-one
SMILESCCc1nc(=O)[nH]c2c1C(CCN)CC2
InChIInChI=1S/C11H17N3O/c1-2-8-10-7(5-6-12)3-4-9(10)14-11(15)13-8/h7H,2-6,12H2,1H3,(H,13,14,15)
InChIKeyVHZVKJPIVMNYRS-UHFFFAOYSA-N
XLogP0.71
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-(2-aminoethyl)-4-cyclopropyl-5,6,7,8-tetrahydro-1H-quinazolin-2-one
CID 83861998
5-(2-aminoethyl)-4-methyl-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-one
CID 83861742
5-(2-aminoethyl)-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-one
CID 83861735
4-ethyl-5-(methylaminomethyl)-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-2-thione
CID 83871266
6-(aminomethyl)-4-ethyl-5-methyl-1H-pyrimidin-2-one
CID 83845952
4-(2-aminoethyl)-5-hydroxy-7,7-dimethyl-1,5,6,8-tetrahydroquinazolin-2-one
CID 83870356
3-[4-(2-aminoethyl)-3-ethyl-4,5,6,7-tetrahydroindazol-1-yl]propanoic acid
CID 82592828
2-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-4-yl)ethanamine
CID 83861633
2-(2-propan-2-yl-5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-4-yl)ethanamine
CID 83885178
2-(3-bromo-4,5,6,7-tetrahydro-1H-indazol-4-yl)ethanamine
CID 83912829
2-(1,4,5,6-tetrahydrocyclopenta[b]pyrrol-4-yl)ethanamine
CID 82417410
4-(2-aminoethyl)-7,7-dimethyl-6,8-dihydro-1H-quinazoline-2,5-dione
CID 83863517

Frequently Asked Questions

What is the IUPAC name of 5-(2-aminoethyl)-4-ethyl-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-one?
The IUPAC name of 5-(2-aminoethyl)-4-ethyl-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-one (CID 83861720) is 5-(2-aminoethyl)-4-ethyl-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-one.
What is the SMILES notation for 5-(2-aminoethyl)-4-ethyl-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-one?
The canonical SMILES for 5-(2-aminoethyl)-4-ethyl-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-one is CCc1nc(=O)[nH]c2c1C(CCN)CC2.
What is the InChIKey of 5-(2-aminoethyl)-4-ethyl-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-one?
The InChIKey is VHZVKJPIVMNYRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O/c1-2-8-10-7(5-6-12)3-4-9(10)14-11(15)13-8/h7H,2-6,12H2,1H3,(H,13,14,15).
What are the key properties of 5-(2-aminoethyl)-4-ethyl-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-one?
5-(2-aminoethyl)-4-ethyl-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-one has a molecular weight of 207.28 g/mol, XLogP of 0.71, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-aminoethyl)-4-ethyl-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-one is sourced from PubChem (CID 83861720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).