3-cyclohexyl-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-2,4-dione;pyrimidine

C17H22N4O2 — CID 70499128

IUPAC3-cyclohexyl-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-2,4-dione;pyrimidine
SMILESO=c1[nH]c2c(c(=O)n1C1CCCCC1)CCC2.c1cncnc1
InChIInChI=1S/C13H18N2O2.C4H4N2/c16-12-10-7-4-8-11(10)14-13(17)15(12)9-5-2-1-3-6-9;1-2-5-4-6-3-1/h9H,1-8H2,(H,14,17);1-4H
InChIKeyYHTZAMRGGNKVGO-UHFFFAOYSA-N
MW314.39 g/mol
LogP2.01
Rot. Bonds1

About 3-cyclohexyl-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-2,4-dione;pyrimidine

3-cyclohexyl-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-2,4-dione;pyrimidine (PubChem CID 70499128) has the molecular formula C17H22N4O2 and a molecular weight of 314.39 g/mol. Its IUPAC name is 3-cyclohexyl-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-2,4-dione;pyrimidine.

Molecular Properties

Compound Name3-cyclohexyl-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-2,4-dione;pyrimidine
PubChem CID70499128
Molecular FormulaC17H22N4O2
Molecular Weight314.39 g/mol
Exact Mass314.17
IUPAC Name3-cyclohexyl-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-2,4-dione;pyrimidine
SMILESO=c1[nH]c2c(c(=O)n1C1CCCCC1)CCC2.c1cncnc1
InChIInChI=1S/C13H18N2O2.C4H4N2/c16-12-10-7-4-8-11(10)14-13(17)15(12)9-5-2-1-3-6-9;1-2-5-4-6-3-1/h9H,1-8H2,(H,14,17);1-4H
InChIKeyYHTZAMRGGNKVGO-UHFFFAOYSA-N
XLogP2.01
TPSA80.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-cyclohexyl-1,6,7,8-tetrahydrothiopyrano[3,2-d]pyrimidine-2,4-dione
CID 70553864
(7S)-3-cyclohexyl-7-sulfanyl-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-2,4-dione
CID 39847871
1-cyclohexyl-4-sulfanylidene-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-one
CID 40805408
(7R)-3-cyclohexyl-7-phenoxy-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-2,4-dione
CID 51700893
3-cyclohexyl-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-2,4-dione;N-[2,4-dichloro-5-[4-(difluoromethyl)-3-methyl-5-oxo-1,2,4-triazol-1-yl]phenyl]methanesulfonamide
CID 70134835
3-cyclooctyl-1H-quinazoline-2,4-dione
CID 47148765
N'-(3-cyclohexyl-2,4-dioxo-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-7-yl)benzohydrazide
CID 45133447
(7S)-3-cyclohexyl-7-(4-methoxyanilino)-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-2,4-dione
CID 39847813
(6S,7S)-3-cyclohexyl-6-fluoro-7-(3-fluorophenyl)-5,6,7,8-tetrahydro-1H-pyrido[2,3-d]pyrimidine-2,4-dione
CID 158911810
3-[1-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidin-4-yl]-1H-imidazo[4,5-b]pyridin-2-one
CID 154772466
3-cyclohexyl-8-(trifluoromethyl)-1H-quinazoline-2,4-dione
CID 117262016
3-cyclohexyl-6-hydroxy-1H-quinazoline-2,4-dione
CID 117261439

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-2,4-dione;pyrimidine?
The IUPAC name of 3-cyclohexyl-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-2,4-dione;pyrimidine (CID 70499128) is 3-cyclohexyl-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-2,4-dione;pyrimidine.
What is the SMILES notation for 3-cyclohexyl-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-2,4-dione;pyrimidine?
The canonical SMILES for 3-cyclohexyl-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-2,4-dione;pyrimidine is O=c1[nH]c2c(c(=O)n1C1CCCCC1)CCC2.c1cncnc1.
What is the InChIKey of 3-cyclohexyl-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-2,4-dione;pyrimidine?
The InChIKey is YHTZAMRGGNKVGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2.C4H4N2/c16-12-10-7-4-8-11(10)14-13(17)15(12)9-5-2-1-3-6-9;1-2-5-4-6-3-1/h9H,1-8H2,(H,14,17);1-4H.
What are the key properties of 3-cyclohexyl-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-2,4-dione;pyrimidine?
3-cyclohexyl-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-2,4-dione;pyrimidine has a molecular weight of 314.39 g/mol, XLogP of 2.01, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-2,4-dione;pyrimidine is sourced from PubChem (CID 70499128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).