ethane;2-methyl-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one

C10H16N2O — CID 144917830

IUPACethane;2-methyl-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one
SMILESCC.Cc1nc2c(c(=O)[nH]1)CCC2
InChIInChI=1S/C8H10N2O.C2H6/c1-5-9-7-4-2-3-6(7)8(11)10-5;1-2/h2-4H2,1H3,(H,9,10,11);1-2H3
InChIKeyIFOVYJMHRUMGJO-UHFFFAOYSA-N
MW180.25 g/mol
LogP1.59
Rot. Bonds

About ethane;2-methyl-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one

ethane;2-methyl-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one (PubChem CID 144917830) has the molecular formula C10H16N2O and a molecular weight of 180.25 g/mol. Its IUPAC name is ethane;2-methyl-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one.

Molecular Properties

Compound Nameethane;2-methyl-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one
PubChem CID144917830
Molecular FormulaC10H16N2O
Molecular Weight180.25 g/mol
Exact Mass180.13
IUPAC Nameethane;2-methyl-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one
SMILESCC.Cc1nc2c(c(=O)[nH]1)CCC2
InChIInChI=1S/C8H10N2O.C2H6/c1-5-9-7-4-2-3-6(7)8(11)10-5;1-2/h2-4H2,1H3,(H,9,10,11);1-2H3
InChIKeyIFOVYJMHRUMGJO-UHFFFAOYSA-N
XLogP1.59
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4(3H)-Quinazolinone, 5,6,7,8-tetrahydro-2-methyl-
CID 135431271
4-Pyrimidinol, 5-decyl-2,6-dimethyl-
CID 135509307
4-Pyrimidinol, 6-amino-5-butyl-2-methyl-
CID 135854955
4-Pyrimidinol, 6-amino-2-methyl-5-pentyl-
CID 135854960
2-cyclopropyl-3H,4H,5H,6H,7H-cyclopenta(d)pyrimidin-4-one
CID 136209770
2-propyl-5,6,7,8-tetrahydro-4(3H)-quinazolinone
CID 136114047
5-Butyl-2,4-dimethyl-1,6-dihydropyrimidin-6-one
CID 137313605
2-(2-Aminopropan-2-yl)-3,5,6,7,8,9-hexahydrocyclohepta[d]pyrimidin-4-one
CID 135975322
2-(1-Aminocyclopentyl)-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one
CID 136103264
2-(2-aminopropan-2-yl)-5,6,7,8-tetrahydro-3H-quinazolin-4-one
CID 136103423
2-(2-Aminopropan-2-yl)-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one
CID 136103424
2-(2-Aminobutan-2-yl)-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one
CID 136103425

Frequently Asked Questions

What is the IUPAC name of ethane;2-methyl-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one?
The IUPAC name of ethane;2-methyl-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one (CID 144917830) is ethane;2-methyl-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one.
What is the SMILES notation for ethane;2-methyl-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one?
The canonical SMILES for ethane;2-methyl-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one is CC.Cc1nc2c(c(=O)[nH]1)CCC2.
What is the InChIKey of ethane;2-methyl-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one?
The InChIKey is IFOVYJMHRUMGJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O.C2H6/c1-5-9-7-4-2-3-6(7)8(11)10-5;1-2/h2-4H2,1H3,(H,9,10,11);1-2H3.
What are the key properties of ethane;2-methyl-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one?
ethane;2-methyl-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one has a molecular weight of 180.25 g/mol, XLogP of 1.59, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-methyl-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one is sourced from PubChem (CID 144917830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).