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

C12H18N2O2 — CID 2055081

IUPAC3-pentyl-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-2,4-dione
SMILESCCCCCn1c(=O)[nH]c2c(c1=O)CCC2
InChIInChI=1S/C12H18N2O2/c1-2-3-4-8-14-11(15)9-6-5-7-10(9)13-12(14)16/h2-8H2,1H3,(H,13,16)
InChIKeyPANQLXVBDRZFBB-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.22
Rot. Bonds4

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

3-pentyl-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-2,4-dione (PubChem CID 2055081) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 3-pentyl-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name3-pentyl-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-2,4-dione
PubChem CID2055081
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name3-pentyl-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-2,4-dione
SMILESCCCCCn1c(=O)[nH]c2c(c1=O)CCC2
InChIInChI=1S/C12H18N2O2/c1-2-3-4-8-14-11(15)9-6-5-7-10(9)13-12(14)16/h2-8H2,1H3,(H,13,16)
InChIKeyPANQLXVBDRZFBB-UHFFFAOYSA-N
XLogP1.22
TPSA54.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-pentyl-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-2,4-dione?
The IUPAC name of 3-pentyl-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-2,4-dione (CID 2055081) is 3-pentyl-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-2,4-dione.
What is the SMILES notation for 3-pentyl-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-2,4-dione?
The canonical SMILES for 3-pentyl-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-2,4-dione is CCCCCn1c(=O)[nH]c2c(c1=O)CCC2.
What is the InChIKey of 3-pentyl-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-2,4-dione?
The InChIKey is PANQLXVBDRZFBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-2-3-4-8-14-11(15)9-6-5-7-10(9)13-12(14)16/h2-8H2,1H3,(H,13,16).
What are the key properties of 3-pentyl-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-2,4-dione?
3-pentyl-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-2,4-dione has a molecular weight of 222.29 g/mol, XLogP of 1.22, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pentyl-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-2,4-dione is sourced from PubChem (CID 2055081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).