5,6,7,8-tetrahydropyrimido[5,4-d]pyrimidine

C6H8N4 — CID 45080475

IUPAC5,6,7,8-tetrahydropyrimido[5,4-d]pyrimidine
SMILESc1ncc2c(n1)CNCN2
InChIInChI=1S/C6H8N4/c1-5-6(10-3-7-1)2-8-4-9-5/h1,3,8-9H,2,4H2
InChIKeyALDBWIBLLYUOJM-UHFFFAOYSA-N
MW136.16 g/mol
LogP-0.05
Rot. Bonds

About 5,6,7,8-tetrahydropyrimido[5,4-d]pyrimidine

5,6,7,8-tetrahydropyrimido[5,4-d]pyrimidine (PubChem CID 45080475) has the molecular formula C6H8N4 and a molecular weight of 136.16 g/mol. Its IUPAC name is 5,6,7,8-tetrahydropyrimido[5,4-d]pyrimidine.

Molecular Properties

Compound Name5,6,7,8-tetrahydropyrimido[5,4-d]pyrimidine
PubChem CID45080475
Molecular FormulaC6H8N4
Molecular Weight136.16 g/mol
Exact Mass136.07
IUPAC Name5,6,7,8-tetrahydropyrimido[5,4-d]pyrimidine
SMILESc1ncc2c(n1)CNCN2
InChIInChI=1S/C6H8N4/c1-5-6(10-3-7-1)2-8-4-9-5/h1,3,8-9H,2,4H2
InChIKeyALDBWIBLLYUOJM-UHFFFAOYSA-N
XLogP-0.05
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.16
LogP ≤ 5-0.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(Piperazin-1-yl)-4-(trifluoromethyl)pyrimidine
CID 2778334
5,6,7,8-Tetrahydropteridine
CID 156
5-Amino-4-methylpyrimidine
CID 227541
2-Chloro-4-methylpyrimidin-5-amine
CID 316282
2,4-Dimethylpyrimidin-5-amine
CID 13981970
2-Amino-4-pyrimidinemethanamine
CID 16227936
4-Methyl-2-(piperazin-1-yl)pyrimidine dihydrochloride
CID 18364978
1-(Pyrimidin-4-yl)methanamine--hydrogen chloride (1/1)
CID 42614178
8-Methyl-5,6,7,8-tetrahydropteridine
CID 55252656
Pyrimido(5,4-d)pyrimidine
CID 21948654
4-Methyl-5,6,7,8-tetrahydropteridine
CID 23422329
N,N,4-Trimethylpyrimidin-5-amine
CID 21600214

Frequently Asked Questions

What is the IUPAC name of 5,6,7,8-tetrahydropyrimido[5,4-d]pyrimidine?
The IUPAC name of 5,6,7,8-tetrahydropyrimido[5,4-d]pyrimidine (CID 45080475) is 5,6,7,8-tetrahydropyrimido[5,4-d]pyrimidine.
What is the SMILES notation for 5,6,7,8-tetrahydropyrimido[5,4-d]pyrimidine?
The canonical SMILES for 5,6,7,8-tetrahydropyrimido[5,4-d]pyrimidine is c1ncc2c(n1)CNCN2.
What is the InChIKey of 5,6,7,8-tetrahydropyrimido[5,4-d]pyrimidine?
The InChIKey is ALDBWIBLLYUOJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N4/c1-5-6(10-3-7-1)2-8-4-9-5/h1,3,8-9H,2,4H2.
What are the key properties of 5,6,7,8-tetrahydropyrimido[5,4-d]pyrimidine?
5,6,7,8-tetrahydropyrimido[5,4-d]pyrimidine has a molecular weight of 136.16 g/mol, XLogP of -0.05, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6,7,8-tetrahydropyrimido[5,4-d]pyrimidine is sourced from PubChem (CID 45080475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).