7-[1-(oxolan-3-yl)azetidine-3-carbonyl]-1,5,6,8-tetrahydropyrido[3,4-d]pyrimidine-2,4-dione

C15H20N4O4 — CID 155958909

IUPAC7-[1-(oxolan-3-yl)azetidine-3-carbonyl]-1,5,6,8-tetrahydropyrido[3,4-d]pyrimidine-2,4-dione
SMILESO=C(C1CN(C2CCOC2)C1)N1CCc2c([nH]c(=O)[nH]c2=O)C1
InChIInChI=1S/C15H20N4O4/c20-13-11-1-3-18(7-12(11)16-15(22)17-13)14(21)9-5-19(6-9)10-2-4-23-8-10/h9-10H,1-8H2,(H2,16,17,20,22)
InChIKeyYMMZRNBIWXGPEQ-UHFFFAOYSA-N
MW320.35 g/mol
LogP-1.33
Rot. Bonds2

About 7-[1-(oxolan-3-yl)azetidine-3-carbonyl]-1,5,6,8-tetrahydropyrido[3,4-d]pyrimidine-2,4-dione

7-[1-(oxolan-3-yl)azetidine-3-carbonyl]-1,5,6,8-tetrahydropyrido[3,4-d]pyrimidine-2,4-dione (PubChem CID 155958909) has the molecular formula C15H20N4O4 and a molecular weight of 320.35 g/mol. Its IUPAC name is 7-[1-(oxolan-3-yl)azetidine-3-carbonyl]-1,5,6,8-tetrahydropyrido[3,4-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name7-[1-(oxolan-3-yl)azetidine-3-carbonyl]-1,5,6,8-tetrahydropyrido[3,4-d]pyrimidine-2,4-dione
PubChem CID155958909
Molecular FormulaC15H20N4O4
Molecular Weight320.35 g/mol
Exact Mass320.15
IUPAC Name7-[1-(oxolan-3-yl)azetidine-3-carbonyl]-1,5,6,8-tetrahydropyrido[3,4-d]pyrimidine-2,4-dione
SMILESO=C(C1CN(C2CCOC2)C1)N1CCc2c([nH]c(=O)[nH]c2=O)C1
InChIInChI=1S/C15H20N4O4/c20-13-11-1-3-18(7-12(11)16-15(22)17-13)14(21)9-5-19(6-9)10-2-4-23-8-10/h9-10H,1-8H2,(H2,16,17,20,22)
InChIKeyYMMZRNBIWXGPEQ-UHFFFAOYSA-N
XLogP-1.33
TPSA98.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.35
LogP ≤ 5-1.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

7-(3,4-dihydro-1H-isochromene-8-carbonyl)-1,5,6,8-tetrahydropyrido[3,4-d]pyrimidine-2,4-dione
CID 155958907
6-[4-(oxolan-3-yl)benzoyl]-5,7-dihydro-1H-pyrrolo[3,4-d]pyrimidine-2,4-dione
CID 155958325
7-(3-cyclohexylbutanoyl)-1,5,6,8-tetrahydropyrido[3,4-d]pyrimidine-2,4-dione
CID 155958921
N-[1-(2-bicyclo[2.2.1]heptanyl)propyl]-2,4-dioxo-1,5,6,8-tetrahydropyrido[3,4-d]pyrimidine-7-carboxamide
CID 167745162
(4-methylpiperazin-1-yl)-[5-(oxolan-3-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]methanone
CID 118738799
7-methyl-1,5,6,8-tetrahydropyrido[3,4-d]pyrimidine-2,4-dione
CID 58523931
7-(2,5-dichloro-4-methylthiophene-3-carbonyl)-1,5,6,8-tetrahydropyrido[3,4-d]pyrimidine-2,4-dione
CID 155959973
oxolan-3-yl-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)methanone
CID 45233016
(8-chloro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-(oxolan-3-yl)methanone
CID 70749177
1-(oxolan-3-yl)piperidine-3-carboxylic acid
CID 63557363
7-[(1S,3R)-3-(oxan-4-ylamino)cyclopentanecarbonyl]-2-phenyl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 142943097
(3-cyclopropyl-4,5,7,8-tetrahydro-1H-pyrazolo[4,5-d]azepin-6-yl)-(1,4-oxazepan-6-yl)methanone
CID 154566749

Frequently Asked Questions

What is the IUPAC name of 7-[1-(oxolan-3-yl)azetidine-3-carbonyl]-1,5,6,8-tetrahydropyrido[3,4-d]pyrimidine-2,4-dione?
The IUPAC name of 7-[1-(oxolan-3-yl)azetidine-3-carbonyl]-1,5,6,8-tetrahydropyrido[3,4-d]pyrimidine-2,4-dione (CID 155958909) is 7-[1-(oxolan-3-yl)azetidine-3-carbonyl]-1,5,6,8-tetrahydropyrido[3,4-d]pyrimidine-2,4-dione.
What is the SMILES notation for 7-[1-(oxolan-3-yl)azetidine-3-carbonyl]-1,5,6,8-tetrahydropyrido[3,4-d]pyrimidine-2,4-dione?
The canonical SMILES for 7-[1-(oxolan-3-yl)azetidine-3-carbonyl]-1,5,6,8-tetrahydropyrido[3,4-d]pyrimidine-2,4-dione is O=C(C1CN(C2CCOC2)C1)N1CCc2c([nH]c(=O)[nH]c2=O)C1.
What is the InChIKey of 7-[1-(oxolan-3-yl)azetidine-3-carbonyl]-1,5,6,8-tetrahydropyrido[3,4-d]pyrimidine-2,4-dione?
The InChIKey is YMMZRNBIWXGPEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O4/c20-13-11-1-3-18(7-12(11)16-15(22)17-13)14(21)9-5-19(6-9)10-2-4-23-8-10/h9-10H,1-8H2,(H2,16,17,20,22).
What are the key properties of 7-[1-(oxolan-3-yl)azetidine-3-carbonyl]-1,5,6,8-tetrahydropyrido[3,4-d]pyrimidine-2,4-dione?
7-[1-(oxolan-3-yl)azetidine-3-carbonyl]-1,5,6,8-tetrahydropyrido[3,4-d]pyrimidine-2,4-dione has a molecular weight of 320.35 g/mol, XLogP of -1.33, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[1-(oxolan-3-yl)azetidine-3-carbonyl]-1,5,6,8-tetrahydropyrido[3,4-d]pyrimidine-2,4-dione is sourced from PubChem (CID 155958909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).