3-tert-butyl-1-propyl-4a,5,7,7a-tetrahydrofuro[3,4-d]pyrimidine-2,4-dione

C13H22N2O3 — CID 66252175

IUPAC3-tert-butyl-1-propyl-4a,5,7,7a-tetrahydrofuro[3,4-d]pyrimidine-2,4-dione
SMILESCCCN1C(=O)N(C(C)(C)C)C(=O)C2COCC21
InChIInChI=1S/C13H22N2O3/c1-5-6-14-10-8-18-7-9(10)11(16)15(12(14)17)13(2,3)4/h9-10H,5-8H2,1-4H3
InChIKeyUKAWHFBWVCGFRT-UHFFFAOYSA-N
MW254.33 g/mol
LogP1.47
Rot. Bonds2

About 3-tert-butyl-1-propyl-4a,5,7,7a-tetrahydrofuro[3,4-d]pyrimidine-2,4-dione

3-tert-butyl-1-propyl-4a,5,7,7a-tetrahydrofuro[3,4-d]pyrimidine-2,4-dione (PubChem CID 66252175) has the molecular formula C13H22N2O3 and a molecular weight of 254.33 g/mol. Its IUPAC name is 3-tert-butyl-1-propyl-4a,5,7,7a-tetrahydrofuro[3,4-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name3-tert-butyl-1-propyl-4a,5,7,7a-tetrahydrofuro[3,4-d]pyrimidine-2,4-dione
PubChem CID66252175
Molecular FormulaC13H22N2O3
Molecular Weight254.33 g/mol
Exact Mass254.16
IUPAC Name3-tert-butyl-1-propyl-4a,5,7,7a-tetrahydrofuro[3,4-d]pyrimidine-2,4-dione
SMILESCCCN1C(=O)N(C(C)(C)C)C(=O)C2COCC21
InChIInChI=1S/C13H22N2O3/c1-5-6-14-10-8-18-7-9(10)11(16)15(12(14)17)13(2,3)4/h9-10H,5-8H2,1-4H3
InChIKeyUKAWHFBWVCGFRT-UHFFFAOYSA-N
XLogP1.47
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-1-propyl-4a,5,7,7a-tetrahydrofuro[3,4-d]pyrimidine-2,4-dione?
The IUPAC name of 3-tert-butyl-1-propyl-4a,5,7,7a-tetrahydrofuro[3,4-d]pyrimidine-2,4-dione (CID 66252175) is 3-tert-butyl-1-propyl-4a,5,7,7a-tetrahydrofuro[3,4-d]pyrimidine-2,4-dione.
What is the SMILES notation for 3-tert-butyl-1-propyl-4a,5,7,7a-tetrahydrofuro[3,4-d]pyrimidine-2,4-dione?
The canonical SMILES for 3-tert-butyl-1-propyl-4a,5,7,7a-tetrahydrofuro[3,4-d]pyrimidine-2,4-dione is CCCN1C(=O)N(C(C)(C)C)C(=O)C2COCC21.
What is the InChIKey of 3-tert-butyl-1-propyl-4a,5,7,7a-tetrahydrofuro[3,4-d]pyrimidine-2,4-dione?
The InChIKey is UKAWHFBWVCGFRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3/c1-5-6-14-10-8-18-7-9(10)11(16)15(12(14)17)13(2,3)4/h9-10H,5-8H2,1-4H3.
What are the key properties of 3-tert-butyl-1-propyl-4a,5,7,7a-tetrahydrofuro[3,4-d]pyrimidine-2,4-dione?
3-tert-butyl-1-propyl-4a,5,7,7a-tetrahydrofuro[3,4-d]pyrimidine-2,4-dione has a molecular weight of 254.33 g/mol, XLogP of 1.47, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-1-propyl-4a,5,7,7a-tetrahydrofuro[3,4-d]pyrimidine-2,4-dione is sourced from PubChem (CID 66252175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).