5-(3-cyclopropylpropyl)-2-pentoxy-3H-pyrano[2,3-d]pyrimidine-4,7-dione

C18H24N2O4 — CID 57402399

IUPAC5-(3-cyclopropylpropyl)-2-pentoxy-3H-pyrano[2,3-d]pyrimidine-4,7-dione
SMILESCCCCCOc1nc2oc(=O)cc(CCCC3CC3)c2c(=O)[nH]1
InChIInChI=1S/C18H24N2O4/c1-2-3-4-10-23-18-19-16(22)15-13(7-5-6-12-8-9-12)11-14(21)24-17(15)20-18/h11-12H,2-10H2,1H3,(H,19,20,22)
InChIKeyFVMMVZHSSSPYPF-UHFFFAOYSA-N
MW332.40 g/mol
LogP3.18
Rot. Bonds9

About 5-(3-cyclopropylpropyl)-2-pentoxy-3H-pyrano[2,3-d]pyrimidine-4,7-dione

5-(3-cyclopropylpropyl)-2-pentoxy-3H-pyrano[2,3-d]pyrimidine-4,7-dione (PubChem CID 57402399) has the molecular formula C18H24N2O4 and a molecular weight of 332.40 g/mol. Its IUPAC name is 5-(3-cyclopropylpropyl)-2-pentoxy-3H-pyrano[2,3-d]pyrimidine-4,7-dione.

Molecular Properties

Compound Name5-(3-cyclopropylpropyl)-2-pentoxy-3H-pyrano[2,3-d]pyrimidine-4,7-dione
PubChem CID57402399
Molecular FormulaC18H24N2O4
Molecular Weight332.40 g/mol
Exact Mass332.17
IUPAC Name5-(3-cyclopropylpropyl)-2-pentoxy-3H-pyrano[2,3-d]pyrimidine-4,7-dione
SMILESCCCCCOc1nc2oc(=O)cc(CCCC3CC3)c2c(=O)[nH]1
InChIInChI=1S/C18H24N2O4/c1-2-3-4-10-23-18-19-16(22)15-13(7-5-6-12-8-9-12)11-14(21)24-17(15)20-18/h11-12H,2-10H2,1H3,(H,19,20,22)
InChIKeyFVMMVZHSSSPYPF-UHFFFAOYSA-N
XLogP3.18
TPSA85.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 5-(3-cyclopropylpropyl)-2-pentoxy-3H-pyrano[2,3-d]pyrimidine-4,7-dione?
The IUPAC name of 5-(3-cyclopropylpropyl)-2-pentoxy-3H-pyrano[2,3-d]pyrimidine-4,7-dione (CID 57402399) is 5-(3-cyclopropylpropyl)-2-pentoxy-3H-pyrano[2,3-d]pyrimidine-4,7-dione.
What is the SMILES notation for 5-(3-cyclopropylpropyl)-2-pentoxy-3H-pyrano[2,3-d]pyrimidine-4,7-dione?
The canonical SMILES for 5-(3-cyclopropylpropyl)-2-pentoxy-3H-pyrano[2,3-d]pyrimidine-4,7-dione is CCCCCOc1nc2oc(=O)cc(CCCC3CC3)c2c(=O)[nH]1.
What is the InChIKey of 5-(3-cyclopropylpropyl)-2-pentoxy-3H-pyrano[2,3-d]pyrimidine-4,7-dione?
The InChIKey is FVMMVZHSSSPYPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O4/c1-2-3-4-10-23-18-19-16(22)15-13(7-5-6-12-8-9-12)11-14(21)24-17(15)20-18/h11-12H,2-10H2,1H3,(H,19,20,22).
What are the key properties of 5-(3-cyclopropylpropyl)-2-pentoxy-3H-pyrano[2,3-d]pyrimidine-4,7-dione?
5-(3-cyclopropylpropyl)-2-pentoxy-3H-pyrano[2,3-d]pyrimidine-4,7-dione has a molecular weight of 332.40 g/mol, XLogP of 3.18, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-cyclopropylpropyl)-2-pentoxy-3H-pyrano[2,3-d]pyrimidine-4,7-dione is sourced from PubChem (CID 57402399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).