5-[3-(1-phenylcyclopropyl)propyl]-1H-pyrano[2,3-d]pyrimidine-2,4,7-trione

C19H18N2O4 — CID 59343595

IUPAC5-[3-(1-phenylcyclopropyl)propyl]-1H-pyrano[2,3-d]pyrimidine-2,4,7-trione
SMILESO=c1[nH]c(=O)c2c(CCCC3(c4ccccc4)CC3)cc(=O)oc2[nH]1
InChIInChI=1S/C19H18N2O4/c22-14-11-12(15-16(23)20-18(24)21-17(15)25-14)5-4-8-19(9-10-19)13-6-2-1-3-7-13/h1-3,6-7,11H,4-5,8-10H2,(H2,20,21,23,24)
InChIKeyURPSQUNMGOQGQK-UHFFFAOYSA-N
MW338.36 g/mol
LogP2.22
Rot. Bonds5

About 5-[3-(1-phenylcyclopropyl)propyl]-1H-pyrano[2,3-d]pyrimidine-2,4,7-trione

5-[3-(1-phenylcyclopropyl)propyl]-1H-pyrano[2,3-d]pyrimidine-2,4,7-trione (PubChem CID 59343595) has the molecular formula C19H18N2O4 and a molecular weight of 338.36 g/mol. Its IUPAC name is 5-[3-(1-phenylcyclopropyl)propyl]-1H-pyrano[2,3-d]pyrimidine-2,4,7-trione.

Molecular Properties

Compound Name5-[3-(1-phenylcyclopropyl)propyl]-1H-pyrano[2,3-d]pyrimidine-2,4,7-trione
PubChem CID59343595
Molecular FormulaC19H18N2O4
Molecular Weight338.36 g/mol
Exact Mass338.13
IUPAC Name5-[3-(1-phenylcyclopropyl)propyl]-1H-pyrano[2,3-d]pyrimidine-2,4,7-trione
SMILESO=c1[nH]c(=O)c2c(CCCC3(c4ccccc4)CC3)cc(=O)oc2[nH]1
InChIInChI=1S/C19H18N2O4/c22-14-11-12(15-16(23)20-18(24)21-17(15)25-14)5-4-8-19(9-10-19)13-6-2-1-3-7-13/h1-3,6-7,11H,4-5,8-10H2,(H2,20,21,23,24)
InChIKeyURPSQUNMGOQGQK-UHFFFAOYSA-N
XLogP2.22
TPSA95.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.36
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[3-(1-phenylcyclopropyl)propyl]-1H-pyrano[2,3-d]pyrimidine-2,4,7-trione?
The IUPAC name of 5-[3-(1-phenylcyclopropyl)propyl]-1H-pyrano[2,3-d]pyrimidine-2,4,7-trione (CID 59343595) is 5-[3-(1-phenylcyclopropyl)propyl]-1H-pyrano[2,3-d]pyrimidine-2,4,7-trione.
What is the SMILES notation for 5-[3-(1-phenylcyclopropyl)propyl]-1H-pyrano[2,3-d]pyrimidine-2,4,7-trione?
The canonical SMILES for 5-[3-(1-phenylcyclopropyl)propyl]-1H-pyrano[2,3-d]pyrimidine-2,4,7-trione is O=c1[nH]c(=O)c2c(CCCC3(c4ccccc4)CC3)cc(=O)oc2[nH]1.
What is the InChIKey of 5-[3-(1-phenylcyclopropyl)propyl]-1H-pyrano[2,3-d]pyrimidine-2,4,7-trione?
The InChIKey is URPSQUNMGOQGQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O4/c22-14-11-12(15-16(23)20-18(24)21-17(15)25-14)5-4-8-19(9-10-19)13-6-2-1-3-7-13/h1-3,6-7,11H,4-5,8-10H2,(H2,20,21,23,24).
What are the key properties of 5-[3-(1-phenylcyclopropyl)propyl]-1H-pyrano[2,3-d]pyrimidine-2,4,7-trione?
5-[3-(1-phenylcyclopropyl)propyl]-1H-pyrano[2,3-d]pyrimidine-2,4,7-trione has a molecular weight of 338.36 g/mol, XLogP of 2.22, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(1-phenylcyclopropyl)propyl]-1H-pyrano[2,3-d]pyrimidine-2,4,7-trione is sourced from PubChem (CID 59343595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).