2-(dimethylamino)-6H-pyrimido[4,5-d]pyrimidin-5-one

C8H9N5O — CID 135408571

IUPAC2-(dimethylamino)-6H-pyrimido[4,5-d]pyrimidin-5-one
SMILESCN(C)c1ncc2c(=O)[nH]cnc2n1
InChIInChI=1S/C8H9N5O/c1-13(2)8-9-3-5-6(12-8)10-4-11-7(5)14/h3-4H,1-2H3,(H,9,10,11,12,14)
InChIKeyJPVGQXAZPHBLKP-UHFFFAOYSA-N
MW191.19 g/mol
LogP-0.22
Rot. Bonds1

About 2-(dimethylamino)-6H-pyrimido[4,5-d]pyrimidin-5-one

2-(dimethylamino)-6H-pyrimido[4,5-d]pyrimidin-5-one (PubChem CID 135408571) has the molecular formula C8H9N5O and a molecular weight of 191.19 g/mol. Its IUPAC name is 2-(dimethylamino)-6H-pyrimido[4,5-d]pyrimidin-5-one.

Molecular Properties

Compound Name2-(dimethylamino)-6H-pyrimido[4,5-d]pyrimidin-5-one
PubChem CID135408571
Molecular FormulaC8H9N5O
Molecular Weight191.19 g/mol
Exact Mass191.08
IUPAC Name2-(dimethylamino)-6H-pyrimido[4,5-d]pyrimidin-5-one
SMILESCN(C)c1ncc2c(=O)[nH]cnc2n1
InChIInChI=1S/C8H9N5O/c1-13(2)8-9-3-5-6(12-8)10-4-11-7(5)14/h3-4H,1-2H3,(H,9,10,11,12,14)
InChIKeyJPVGQXAZPHBLKP-UHFFFAOYSA-N
XLogP-0.22
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.19
LogP ≤ 5-0.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-methoxyphenyl)-6H-pyrimido[4,5-d]pyrimidin-5-one
CID 136668680
1,7-dihydropurin-6-one
CID 135546991
7-chloro-6-methyl-3H-pyrido[2,3-d]pyrimidin-4-one
CID 137292826
azane;1,7-dihydropurin-6-one
CID 158320966
6,7-dichloro-3H-pyrido[2,3-d]pyrimidin-4-one
CID 172684386
CID 135618481
CID 135618481
2-methyl-1,7-dihydropurin-6-one
CID 135449674
6-methoxy-3H-pteridin-4-one
CID 135742619
N,N-diethyl-7H-purin-2-amine
CID 22916630
N-but-3-en-2-yl-N-methyl-7H-purin-2-amine
CID 139835145
8-(dimethylaminodiazenyl)-1,7-dihydropurin-6-one
CID 137241497
3-methyl-6H-pyrimido[5,4-e][1,2,4]triazin-5-one
CID 135460323

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-6H-pyrimido[4,5-d]pyrimidin-5-one?
The IUPAC name of 2-(dimethylamino)-6H-pyrimido[4,5-d]pyrimidin-5-one (CID 135408571) is 2-(dimethylamino)-6H-pyrimido[4,5-d]pyrimidin-5-one.
What is the SMILES notation for 2-(dimethylamino)-6H-pyrimido[4,5-d]pyrimidin-5-one?
The canonical SMILES for 2-(dimethylamino)-6H-pyrimido[4,5-d]pyrimidin-5-one is CN(C)c1ncc2c(=O)[nH]cnc2n1.
What is the InChIKey of 2-(dimethylamino)-6H-pyrimido[4,5-d]pyrimidin-5-one?
The InChIKey is JPVGQXAZPHBLKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N5O/c1-13(2)8-9-3-5-6(12-8)10-4-11-7(5)14/h3-4H,1-2H3,(H,9,10,11,12,14).
What are the key properties of 2-(dimethylamino)-6H-pyrimido[4,5-d]pyrimidin-5-one?
2-(dimethylamino)-6H-pyrimido[4,5-d]pyrimidin-5-one has a molecular weight of 191.19 g/mol, XLogP of -0.22, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-6H-pyrimido[4,5-d]pyrimidin-5-one is sourced from PubChem (CID 135408571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).