6-(furan-2-ylmethyl)-1,3-dimethyl-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidine-2,4-dione

C13H16N4O3 — CID 672077

IUPAC6-(furan-2-ylmethyl)-1,3-dimethyl-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidine-2,4-dione
SMILESCn1c2c(c(=O)n(C)c1=O)CN(Cc1ccco1)CN2
InChIInChI=1S/C13H16N4O3/c1-15-11-10(12(18)16(2)13(15)19)7-17(8-14-11)6-9-4-3-5-20-9/h3-5,14H,6-8H2,1-2H3
InChIKeyIYLBRZOCEFRKPU-UHFFFAOYSA-N
MW276.30 g/mol
LogP0.06
Rot. Bonds2

About 6-(furan-2-ylmethyl)-1,3-dimethyl-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidine-2,4-dione

6-(furan-2-ylmethyl)-1,3-dimethyl-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidine-2,4-dione (PubChem CID 672077) has the molecular formula C13H16N4O3 and a molecular weight of 276.30 g/mol. Its IUPAC name is 6-(furan-2-ylmethyl)-1,3-dimethyl-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-(furan-2-ylmethyl)-1,3-dimethyl-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidine-2,4-dione
PubChem CID672077
Molecular FormulaC13H16N4O3
Molecular Weight276.30 g/mol
Exact Mass276.12
IUPAC Name6-(furan-2-ylmethyl)-1,3-dimethyl-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidine-2,4-dione
SMILESCn1c2c(c(=O)n(C)c1=O)CN(Cc1ccco1)CN2
InChIInChI=1S/C13H16N4O3/c1-15-11-10(12(18)16(2)13(15)19)7-17(8-14-11)6-9-4-3-5-20-9/h3-5,14H,6-8H2,1-2H3
InChIKeyIYLBRZOCEFRKPU-UHFFFAOYSA-N
XLogP0.06
TPSA72.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.30
LogP ≤ 50.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 6-(furan-2-ylmethyl)-1,3-dimethyl-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidine-2,4-dione with MolForge

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Related Compounds

[(Furan-2-yl)methyl]urea
CID 587724
(5E)-1-(furan-2-ylmethyl)-5-[(E)-3-(furan-2-yl)prop-2-enylidene]-1,3-diazinane-2,4,6-trione
CID 1918388
1-(Furan-2-ylmethyl)-1,3-diazinane-2,4,6-trione
CID 2269367
ethyl 1-{[1-(2-furylmethyl)-2,4,6-trioxotetrahydro-5(2H)-pyrimidinylidene]methyl}-4-piperidinecarboxylate
CID 1330278
(5Z)-5-({[3-(dimethylamino)propyl]amino}methylidene)-3-(furan-2-ylmethyl)-6-hydroxypyrimidine-2,4(3H,5H)-dione
CID 1602851
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-1-(furan-2-ylmethyl)-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 16301230
N-[1-(furan-2-ylmethyl)-4-hydroxy-2,6-dioxo-5-(trifluoromethyl)-2,5,6,7-tetrahydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl]propanamide
CID 663137
N-[1-(2-furylmethyl)-2,4,6-trioxo-5-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl]pentanamide
CID 3237851
6-amino-1-(2-furylmethyl)pyrimidine-2,4(1H,3H)-dione
CID 833803
1-Tert-butyl-3-furfurylurea
CID 307075
2-[4-(furan-2-ylcarbonyl)piperazin-1-yl]-5,6-dimethylpyrimidin-4(3H)-one
CID 135448588
2-((furan-2-ylmethyl)amino)-4-oxo-4H-pyrido[1,2-a]pyrimidine-3-carbaldehyde
CID 1083179

Frequently Asked Questions

What is the IUPAC name of 6-(furan-2-ylmethyl)-1,3-dimethyl-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidine-2,4-dione?
The IUPAC name of 6-(furan-2-ylmethyl)-1,3-dimethyl-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidine-2,4-dione (CID 672077) is 6-(furan-2-ylmethyl)-1,3-dimethyl-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidine-2,4-dione.
What is the SMILES notation for 6-(furan-2-ylmethyl)-1,3-dimethyl-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidine-2,4-dione?
The canonical SMILES for 6-(furan-2-ylmethyl)-1,3-dimethyl-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidine-2,4-dione is Cn1c2c(c(=O)n(C)c1=O)CN(Cc1ccco1)CN2.
What is the InChIKey of 6-(furan-2-ylmethyl)-1,3-dimethyl-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidine-2,4-dione?
The InChIKey is IYLBRZOCEFRKPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O3/c1-15-11-10(12(18)16(2)13(15)19)7-17(8-14-11)6-9-4-3-5-20-9/h3-5,14H,6-8H2,1-2H3.
What are the key properties of 6-(furan-2-ylmethyl)-1,3-dimethyl-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidine-2,4-dione?
6-(furan-2-ylmethyl)-1,3-dimethyl-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidine-2,4-dione has a molecular weight of 276.30 g/mol, XLogP of 0.06, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(furan-2-ylmethyl)-1,3-dimethyl-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidine-2,4-dione is sourced from PubChem (CID 672077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).