2-imidazol-1-yl-6-methyl-8H-pyrimido[4,5-d]pyrimidine-5,7-dione

C10H8N6O2 — CID 95916009

IUPAC2-imidazol-1-yl-6-methyl-8H-pyrimido[4,5-d]pyrimidine-5,7-dione
SMILESCn1c(=O)[nH]c2nc(-n3ccnc3)ncc2c1=O
InChIInChI=1S/C10H8N6O2/c1-15-8(17)6-4-12-9(16-3-2-11-5-16)13-7(6)14-10(15)18/h2-5H,1H3,(H,12,13,14,18)
InChIKeyXHUKKYAYBLSTKI-UHFFFAOYSA-N
MW244.21 g/mol
LogP-0.80
Rot. Bonds1

About 2-imidazol-1-yl-6-methyl-8H-pyrimido[4,5-d]pyrimidine-5,7-dione

2-imidazol-1-yl-6-methyl-8H-pyrimido[4,5-d]pyrimidine-5,7-dione (PubChem CID 95916009) has the molecular formula C10H8N6O2 and a molecular weight of 244.21 g/mol. Its IUPAC name is 2-imidazol-1-yl-6-methyl-8H-pyrimido[4,5-d]pyrimidine-5,7-dione.

Molecular Properties

Compound Name2-imidazol-1-yl-6-methyl-8H-pyrimido[4,5-d]pyrimidine-5,7-dione
PubChem CID95916009
Molecular FormulaC10H8N6O2
Molecular Weight244.21 g/mol
Exact Mass244.07
IUPAC Name2-imidazol-1-yl-6-methyl-8H-pyrimido[4,5-d]pyrimidine-5,7-dione
SMILESCn1c(=O)[nH]c2nc(-n3ccnc3)ncc2c1=O
InChIInChI=1S/C10H8N6O2/c1-15-8(17)6-4-12-9(16-3-2-11-5-16)13-7(6)14-10(15)18/h2-5H,1H3,(H,12,13,14,18)
InChIKeyXHUKKYAYBLSTKI-UHFFFAOYSA-N
XLogP-0.80
TPSA98.46 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.21
LogP ≤ 5-0.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-(3-imidazol-1-ylpropylamino)-N-(2-methylpropyl)-4-(2-methylpropylamino)pyrimidine-5-carboxamide
CID 45489169
1,7-Dimethylpyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione
CID 46503573
1,3,7-trimethylpyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione
CID 777743
1,3-dimethylpyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione
CID 13194070
N-[3-(1H-imidazol-1-yl)propyl]-2-isopropylpyrimidine-5-carboxamide
CID 74236438
N-[3-(1H-imidazol-1-yl)propyl]-2-methoxypyrimidine-5-carboxamide
CID 119059606
1-(1-Methylimidazol-2-yl)-3,4-dihydropyrimido[4,5-d]pyrimidin-2-one;2,2,2-trifluoroacetic acid
CID 157403866
2-ethyl-N-[(1-methyl-1H-imidazol-2-yl)methyl]-N-propylpyrimidine-5-carboxamide
CID 50955657
7-Amino-1,3-dimethylpyrimido[4,5-d]pyrimidine-2,4-dione
CID 13194072
1,3-Dimethyl-7-(methylamino)pyrimido[4,5-d]pyrimidine-2,4-dione
CID 13194073
7-Amino-3-methyl-1-(2-methylpropyl)pyrimido[4,5-d]pyrimidine-2,4-dione
CID 14854880
7-Amino-1,3-diethyl-pyrimido[4,5-d]pyrimidine-2,4-dione
CID 14854883

Frequently Asked Questions

What is the IUPAC name of 2-imidazol-1-yl-6-methyl-8H-pyrimido[4,5-d]pyrimidine-5,7-dione?
The IUPAC name of 2-imidazol-1-yl-6-methyl-8H-pyrimido[4,5-d]pyrimidine-5,7-dione (CID 95916009) is 2-imidazol-1-yl-6-methyl-8H-pyrimido[4,5-d]pyrimidine-5,7-dione.
What is the SMILES notation for 2-imidazol-1-yl-6-methyl-8H-pyrimido[4,5-d]pyrimidine-5,7-dione?
The canonical SMILES for 2-imidazol-1-yl-6-methyl-8H-pyrimido[4,5-d]pyrimidine-5,7-dione is Cn1c(=O)[nH]c2nc(-n3ccnc3)ncc2c1=O.
What is the InChIKey of 2-imidazol-1-yl-6-methyl-8H-pyrimido[4,5-d]pyrimidine-5,7-dione?
The InChIKey is XHUKKYAYBLSTKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N6O2/c1-15-8(17)6-4-12-9(16-3-2-11-5-16)13-7(6)14-10(15)18/h2-5H,1H3,(H,12,13,14,18).
What are the key properties of 2-imidazol-1-yl-6-methyl-8H-pyrimido[4,5-d]pyrimidine-5,7-dione?
2-imidazol-1-yl-6-methyl-8H-pyrimido[4,5-d]pyrimidine-5,7-dione has a molecular weight of 244.21 g/mol, XLogP of -0.80, 1 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-imidazol-1-yl-6-methyl-8H-pyrimido[4,5-d]pyrimidine-5,7-dione is sourced from PubChem (CID 95916009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).