7,8-dihydropyrimido[4,5-d]pyrimidine

C6H6N4 — CID 67223442

IUPAC7,8-dihydropyrimido[4,5-d]pyrimidine
SMILESC1=NCNc2ncncc21
InChIInChI=1S/C6H6N4/c1-5-2-8-4-10-6(5)9-3-7-1/h1-3H,4H2,(H,7,9,10)
InChIKeyDLIITRDFRAFNAS-UHFFFAOYSA-N
MW134.14 g/mol
LogP0.28
Rot. Bonds

About 7,8-dihydropyrimido[4,5-d]pyrimidine

7,8-dihydropyrimido[4,5-d]pyrimidine (PubChem CID 67223442) has the molecular formula C6H6N4 and a molecular weight of 134.14 g/mol. Its IUPAC name is 7,8-dihydropyrimido[4,5-d]pyrimidine.

Molecular Properties

Compound Name7,8-dihydropyrimido[4,5-d]pyrimidine
PubChem CID67223442
Molecular FormulaC6H6N4
Molecular Weight134.14 g/mol
Exact Mass134.06
IUPAC Name7,8-dihydropyrimido[4,5-d]pyrimidine
SMILESC1=NCNc2ncncc21
InChIInChI=1S/C6H6N4/c1-5-2-8-4-10-6(5)9-3-7-1/h1-3H,4H2,(H,7,9,10)
InChIKeyDLIITRDFRAFNAS-UHFFFAOYSA-N
XLogP0.28
TPSA50.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.14
LogP ≤ 50.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-Amino-2-methyl-5-pyrimidinemethanamine
CID 66762
4-Amino-2-methylpyrimidine-5-carbonitrile
CID 69682
2,5-Dimethylpyrimidin-4-Amine
CID 445779
4-Amino-5-pyrimidinecarbonitrile
CID 737208
2,4-Diaminopyrimidine-5-carbonitrile
CID 282115
5-Methylpyrimidine
CID 74859
4-N-(2,2-dimethylpropyl)-5-methylpyrimidine-2,4-diamine
CID 80798438
4-N-(2,2-dimethylpropyl)-4-N,5-dimethylpyrimidine-2,4-diamine
CID 80818780
4-Amino-2-(diethylamino)-5-pyrimidinecarbonitrile
CID 2816412
5-Methylpyrimidin-4-amine
CID 21719209
4-Amino-2-chloropyrimidine-5-carbonitrile
CID 2801166
2-Amino-5-iodopyrimidine
CID 241102

Frequently Asked Questions

What is the IUPAC name of 7,8-dihydropyrimido[4,5-d]pyrimidine?
The IUPAC name of 7,8-dihydropyrimido[4,5-d]pyrimidine (CID 67223442) is 7,8-dihydropyrimido[4,5-d]pyrimidine.
What is the SMILES notation for 7,8-dihydropyrimido[4,5-d]pyrimidine?
The canonical SMILES for 7,8-dihydropyrimido[4,5-d]pyrimidine is C1=NCNc2ncncc21.
What is the InChIKey of 7,8-dihydropyrimido[4,5-d]pyrimidine?
The InChIKey is DLIITRDFRAFNAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N4/c1-5-2-8-4-10-6(5)9-3-7-1/h1-3H,4H2,(H,7,9,10).
What are the key properties of 7,8-dihydropyrimido[4,5-d]pyrimidine?
7,8-dihydropyrimido[4,5-d]pyrimidine has a molecular weight of 134.14 g/mol, XLogP of 0.28, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7,8-dihydropyrimido[4,5-d]pyrimidine is sourced from PubChem (CID 67223442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).