6-cyclopentyl-3-cyclopropyl-1H-pyrimidine-2,4-dione

C12H16N2O2 — CID 122239082

IUPAC6-cyclopentyl-3-cyclopropyl-1H-pyrimidine-2,4-dione
SMILESO=c1cc(C2CCCC2)[nH]c(=O)n1C1CC1
InChIInChI=1S/C12H16N2O2/c15-11-7-10(8-3-1-2-4-8)13-12(16)14(11)9-5-6-9/h7-9H,1-6H2,(H,13,16)
InChIKeyBLJOCKMCTLESLX-UHFFFAOYSA-N
MW220.27 g/mol
LogP1.53
Rot. Bonds2

About 6-cyclopentyl-3-cyclopropyl-1H-pyrimidine-2,4-dione

6-cyclopentyl-3-cyclopropyl-1H-pyrimidine-2,4-dione (PubChem CID 122239082) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is 6-cyclopentyl-3-cyclopropyl-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-cyclopentyl-3-cyclopropyl-1H-pyrimidine-2,4-dione
PubChem CID122239082
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC Name6-cyclopentyl-3-cyclopropyl-1H-pyrimidine-2,4-dione
SMILESO=c1cc(C2CCCC2)[nH]c(=O)n1C1CC1
InChIInChI=1S/C12H16N2O2/c15-11-7-10(8-3-1-2-4-8)13-12(16)14(11)9-5-6-9/h7-9H,1-6H2,(H,13,16)
InChIKeyBLJOCKMCTLESLX-UHFFFAOYSA-N
XLogP1.53
TPSA54.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-cyclopropyl-2-[3-(2-fluoroethyl)-2,4-dioxo-1H-pyrimidin-6-yl]propanamide
CID 71019137
6-(Cyclopropylmethyl)-3-(2,2,2-trifluoroethyl)-1,2,3,4-tetrahydropyrimidine-2,4-dione
CID 122239166
6-(1-cyclopropylpropan-2-yl)-3-(2-fluoroethyl)-1H-pyrimidine-2,4-dione
CID 143790180
6-butan-2-yl-3-cyclohexyl-1H-pyrimidine-2,4-dione
CID 21430048
3-cyclohexyl-6-propan-2-yl-1H-pyrimidine-2,4-dione
CID 21531918
6-Cyclohexyl-3-methyl-1,2,3,4-tetrahydropyrimidine-2,4-dione
CID 22075427
1-[(1R,4S)-4-ethylcyclopent-2-en-1-yl]pyrimidine-2,4-dione
CID 58492898
6-cyclopentylpyrimidine-2,4(1H,3H)-dione
CID 65710852
6-[amino(cyclohexyl)methyl]-3-propyl-1H-pyrimidine-2,4-dione
CID 67685133
1,3-Dimethyl-6-piperidin-4-ylpyrimidine-2,4-dione
CID 83856840
6-cyclohexyl-3-prop-2-enyl-1H-pyrimidine-2,4-dione
CID 89440921
6-(4-Amino-3-methylbutyl)-3-methyl-1-(2-methylpropyl)pyrimidine-2,4-dione
CID 91577200

Frequently Asked Questions

What is the IUPAC name of 6-cyclopentyl-3-cyclopropyl-1H-pyrimidine-2,4-dione?
The IUPAC name of 6-cyclopentyl-3-cyclopropyl-1H-pyrimidine-2,4-dione (CID 122239082) is 6-cyclopentyl-3-cyclopropyl-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 6-cyclopentyl-3-cyclopropyl-1H-pyrimidine-2,4-dione?
The canonical SMILES for 6-cyclopentyl-3-cyclopropyl-1H-pyrimidine-2,4-dione is O=c1cc(C2CCCC2)[nH]c(=O)n1C1CC1.
What is the InChIKey of 6-cyclopentyl-3-cyclopropyl-1H-pyrimidine-2,4-dione?
The InChIKey is BLJOCKMCTLESLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2/c15-11-7-10(8-3-1-2-4-8)13-12(16)14(11)9-5-6-9/h7-9H,1-6H2,(H,13,16).
What are the key properties of 6-cyclopentyl-3-cyclopropyl-1H-pyrimidine-2,4-dione?
6-cyclopentyl-3-cyclopropyl-1H-pyrimidine-2,4-dione has a molecular weight of 220.27 g/mol, XLogP of 1.53, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopentyl-3-cyclopropyl-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 122239082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).