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

C15H18N2O4 — CID 57390147

IUPAC5-(2-cyclopentylethyl)-2-methoxy-3H-pyrano[2,3-d]pyrimidine-4,7-dione
SMILESCOc1nc2oc(=O)cc(CCC3CCCC3)c2c(=O)[nH]1
InChIInChI=1S/C15H18N2O4/c1-20-15-16-13(19)12-10(7-6-9-4-2-3-5-9)8-11(18)21-14(12)17-15/h8-9H,2-7H2,1H3,(H,16,17,19)
InChIKeyMQEJDLHKXGNDMN-UHFFFAOYSA-N
MW290.32 g/mol
LogP2.01
Rot. Bonds4

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

5-(2-cyclopentylethyl)-2-methoxy-3H-pyrano[2,3-d]pyrimidine-4,7-dione (PubChem CID 57390147) has the molecular formula C15H18N2O4 and a molecular weight of 290.32 g/mol. Its IUPAC name is 5-(2-cyclopentylethyl)-2-methoxy-3H-pyrano[2,3-d]pyrimidine-4,7-dione.

Molecular Properties

Compound Name5-(2-cyclopentylethyl)-2-methoxy-3H-pyrano[2,3-d]pyrimidine-4,7-dione
PubChem CID57390147
Molecular FormulaC15H18N2O4
Molecular Weight290.32 g/mol
Exact Mass290.13
IUPAC Name5-(2-cyclopentylethyl)-2-methoxy-3H-pyrano[2,3-d]pyrimidine-4,7-dione
SMILESCOc1nc2oc(=O)cc(CCC3CCCC3)c2c(=O)[nH]1
InChIInChI=1S/C15H18N2O4/c1-20-15-16-13(19)12-10(7-6-9-4-2-3-5-9)8-11(18)21-14(12)17-15/h8-9H,2-7H2,1H3,(H,16,17,19)
InChIKeyMQEJDLHKXGNDMN-UHFFFAOYSA-N
XLogP2.01
TPSA85.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(2-cyclopentylethyl)-2-methoxy-3H-pyrano[2,3-d]pyrimidine-4,7-dione?
The IUPAC name of 5-(2-cyclopentylethyl)-2-methoxy-3H-pyrano[2,3-d]pyrimidine-4,7-dione (CID 57390147) is 5-(2-cyclopentylethyl)-2-methoxy-3H-pyrano[2,3-d]pyrimidine-4,7-dione.
What is the SMILES notation for 5-(2-cyclopentylethyl)-2-methoxy-3H-pyrano[2,3-d]pyrimidine-4,7-dione?
The canonical SMILES for 5-(2-cyclopentylethyl)-2-methoxy-3H-pyrano[2,3-d]pyrimidine-4,7-dione is COc1nc2oc(=O)cc(CCC3CCCC3)c2c(=O)[nH]1.
What is the InChIKey of 5-(2-cyclopentylethyl)-2-methoxy-3H-pyrano[2,3-d]pyrimidine-4,7-dione?
The InChIKey is MQEJDLHKXGNDMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O4/c1-20-15-16-13(19)12-10(7-6-9-4-2-3-5-9)8-11(18)21-14(12)17-15/h8-9H,2-7H2,1H3,(H,16,17,19).
What are the key properties of 5-(2-cyclopentylethyl)-2-methoxy-3H-pyrano[2,3-d]pyrimidine-4,7-dione?
5-(2-cyclopentylethyl)-2-methoxy-3H-pyrano[2,3-d]pyrimidine-4,7-dione has a molecular weight of 290.32 g/mol, XLogP of 2.01, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-cyclopentylethyl)-2-methoxy-3H-pyrano[2,3-d]pyrimidine-4,7-dione is sourced from PubChem (CID 57390147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).