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

C10H16N4O3 — CID 2738044

IUPAC6-(2-hydroxyethyl)-1,3-dimethyl-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidine-2,4-dione
SMILESCn1c2c(c(=O)n(C)c1=O)CN(CCO)CN2
InChIInChI=1S/C10H16N4O3/c1-12-8-7(9(16)13(2)10(12)17)5-14(3-4-15)6-11-8/h11,15H,3-6H2,1-2H3
InChIKeyUYKYDGFOTUIJDR-UHFFFAOYSA-N
MW240.26 g/mol
LogP-1.74
Rot. Bonds2

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

6-(2-hydroxyethyl)-1,3-dimethyl-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidine-2,4-dione (PubChem CID 2738044) has the molecular formula C10H16N4O3 and a molecular weight of 240.26 g/mol. Its IUPAC name is 6-(2-hydroxyethyl)-1,3-dimethyl-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-(2-hydroxyethyl)-1,3-dimethyl-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidine-2,4-dione
PubChem CID2738044
Molecular FormulaC10H16N4O3
Molecular Weight240.26 g/mol
Exact Mass240.12
IUPAC Name6-(2-hydroxyethyl)-1,3-dimethyl-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidine-2,4-dione
SMILESCn1c2c(c(=O)n(C)c1=O)CN(CCO)CN2
InChIInChI=1S/C10H16N4O3/c1-12-8-7(9(16)13(2)10(12)17)5-14(3-4-15)6-11-8/h11,15H,3-6H2,1-2H3
InChIKeyUYKYDGFOTUIJDR-UHFFFAOYSA-N
XLogP-1.74
TPSA79.50 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 5-1.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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

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Related Compounds

Pyrimido(4,5-d)pyrimidine-2,4(1H,3H)-dione, 5,6,7,8-tetrahydro-1,3,6-trimethyl-
CID 2738035
1,3-dimethyl-6-(3-morpholin-4-ylpropyl)-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione
CID 667038
Pyrimido(4,5-d)pyrimidine-2,4(1H,3H)-dione, 5,6,7,8-tetrahydro-1,3-dimethyl-6-ethyl-
CID 3048965
1-(2-hydroxyethyl)-1H,2H,3H,4H,5H,6H,7H,8H-[1,3]diazino[4,5-d]pyrimidine-2,4,5,7-tetrone
CID 44186448
1,3-dimethyl-6-(2-morpholin-4-ylethyl)-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidine-2,4-dione
CID 672080
6-butyl-1,3-dimethyl-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione
CID 1770032
6-(2-methoxyethyl)-1,3-dimethyl-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione
CID 1832556
1,3-dimethyl-6-propyl-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione
CID 712253
6-[2-(dimethylamino)ethyl]-1,3-dimethyl-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidine-2,4-dione
CID 2826399
1,3-dimethyl-6-(propan-2-yl)-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione
CID 945361
6-(3-methoxypropyl)-1,3-dimethyl-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione
CID 2024570
6-(4-aminobutyl)-1,3-dimethyl-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidine-2,4-dione
CID 2826364

Frequently Asked Questions

What is the IUPAC name of 6-(2-hydroxyethyl)-1,3-dimethyl-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidine-2,4-dione?
The IUPAC name of 6-(2-hydroxyethyl)-1,3-dimethyl-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidine-2,4-dione (CID 2738044) is 6-(2-hydroxyethyl)-1,3-dimethyl-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidine-2,4-dione.
What is the SMILES notation for 6-(2-hydroxyethyl)-1,3-dimethyl-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidine-2,4-dione?
The canonical SMILES for 6-(2-hydroxyethyl)-1,3-dimethyl-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidine-2,4-dione is Cn1c2c(c(=O)n(C)c1=O)CN(CCO)CN2.
What is the InChIKey of 6-(2-hydroxyethyl)-1,3-dimethyl-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidine-2,4-dione?
The InChIKey is UYKYDGFOTUIJDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O3/c1-12-8-7(9(16)13(2)10(12)17)5-14(3-4-15)6-11-8/h11,15H,3-6H2,1-2H3.
What are the key properties of 6-(2-hydroxyethyl)-1,3-dimethyl-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidine-2,4-dione?
6-(2-hydroxyethyl)-1,3-dimethyl-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidine-2,4-dione has a molecular weight of 240.26 g/mol, XLogP of -1.74, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-hydroxyethyl)-1,3-dimethyl-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidine-2,4-dione is sourced from PubChem (CID 2738044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).