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

C14H14F2N2O3 — CID 51346919

IUPAC5-(3-cyclopropylpropyl)-2-(difluoromethyl)-3H-pyrano[2,3-d]pyrimidine-4,7-dione
SMILESO=c1cc(CCCC2CC2)c2c(=O)[nH]c(C(F)F)nc2o1
InChIInChI=1S/C14H14F2N2O3/c15-11(16)12-17-13(20)10-8(3-1-2-7-4-5-7)6-9(19)21-14(10)18-12/h6-7,11H,1-5H2,(H,17,18,20)
InChIKeyDFLJUOUAVYDDBB-UHFFFAOYSA-N
MW296.27 g/mol
LogP2.55
Rot. Bonds5

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

5-(3-cyclopropylpropyl)-2-(difluoromethyl)-3H-pyrano[2,3-d]pyrimidine-4,7-dione (PubChem CID 51346919) has the molecular formula C14H14F2N2O3 and a molecular weight of 296.27 g/mol. Its IUPAC name is 5-(3-cyclopropylpropyl)-2-(difluoromethyl)-3H-pyrano[2,3-d]pyrimidine-4,7-dione.

Molecular Properties

Compound Name5-(3-cyclopropylpropyl)-2-(difluoromethyl)-3H-pyrano[2,3-d]pyrimidine-4,7-dione
PubChem CID51346919
Molecular FormulaC14H14F2N2O3
Molecular Weight296.27 g/mol
Exact Mass296.10
IUPAC Name5-(3-cyclopropylpropyl)-2-(difluoromethyl)-3H-pyrano[2,3-d]pyrimidine-4,7-dione
SMILESO=c1cc(CCCC2CC2)c2c(=O)[nH]c(C(F)F)nc2o1
InChIInChI=1S/C14H14F2N2O3/c15-11(16)12-17-13(20)10-8(3-1-2-7-4-5-7)6-9(19)21-14(10)18-12/h6-7,11H,1-5H2,(H,17,18,20)
InChIKeyDFLJUOUAVYDDBB-UHFFFAOYSA-N
XLogP2.55
TPSA75.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.27
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(3-cyclopropylpropyl)-2-(difluoromethyl)-3H-pyrano[2,3-d]pyrimidine-4,7-dione?
The IUPAC name of 5-(3-cyclopropylpropyl)-2-(difluoromethyl)-3H-pyrano[2,3-d]pyrimidine-4,7-dione (CID 51346919) is 5-(3-cyclopropylpropyl)-2-(difluoromethyl)-3H-pyrano[2,3-d]pyrimidine-4,7-dione.
What is the SMILES notation for 5-(3-cyclopropylpropyl)-2-(difluoromethyl)-3H-pyrano[2,3-d]pyrimidine-4,7-dione?
The canonical SMILES for 5-(3-cyclopropylpropyl)-2-(difluoromethyl)-3H-pyrano[2,3-d]pyrimidine-4,7-dione is O=c1cc(CCCC2CC2)c2c(=O)[nH]c(C(F)F)nc2o1.
What is the InChIKey of 5-(3-cyclopropylpropyl)-2-(difluoromethyl)-3H-pyrano[2,3-d]pyrimidine-4,7-dione?
The InChIKey is DFLJUOUAVYDDBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F2N2O3/c15-11(16)12-17-13(20)10-8(3-1-2-7-4-5-7)6-9(19)21-14(10)18-12/h6-7,11H,1-5H2,(H,17,18,20).
What are the key properties of 5-(3-cyclopropylpropyl)-2-(difluoromethyl)-3H-pyrano[2,3-d]pyrimidine-4,7-dione?
5-(3-cyclopropylpropyl)-2-(difluoromethyl)-3H-pyrano[2,3-d]pyrimidine-4,7-dione has a molecular weight of 296.27 g/mol, XLogP of 2.55, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-cyclopropylpropyl)-2-(difluoromethyl)-3H-pyrano[2,3-d]pyrimidine-4,7-dione is sourced from PubChem (CID 51346919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).