1,2,3,4,4a,5,6,7,8,8a-decahydropyrimido[5,4-d]pyrimidine

C6H14N4 — CID 73195584

IUPAC1,2,3,4,4a,5,6,7,8,8a-decahydropyrimido[5,4-d]pyrimidine
SMILESC1NCC2NCNCC2N1
InChIInChI=1S/C6H14N4/c1-5-6(10-3-7-1)2-8-4-9-5/h5-10H,1-4H2
InChIKeyJZLMDSAYNPSGTO-UHFFFAOYSA-N
MW142.21 g/mol
LogP-1.98
Rot. Bonds

About 1,2,3,4,4a,5,6,7,8,8a-decahydropyrimido[5,4-d]pyrimidine

1,2,3,4,4a,5,6,7,8,8a-decahydropyrimido[5,4-d]pyrimidine (PubChem CID 73195584) has the molecular formula C6H14N4 and a molecular weight of 142.21 g/mol. Its IUPAC name is 1,2,3,4,4a,5,6,7,8,8a-decahydropyrimido[5,4-d]pyrimidine.

Molecular Properties

Compound Name1,2,3,4,4a,5,6,7,8,8a-decahydropyrimido[5,4-d]pyrimidine
PubChem CID73195584
Molecular FormulaC6H14N4
Molecular Weight142.21 g/mol
Exact Mass142.12
IUPAC Name1,2,3,4,4a,5,6,7,8,8a-decahydropyrimido[5,4-d]pyrimidine
SMILESC1NCC2NCNCC2N1
InChIInChI=1S/C6H14N4/c1-5-6(10-3-7-1)2-8-4-9-5/h5-10H,1-4H2
InChIKeyJZLMDSAYNPSGTO-UHFFFAOYSA-N
XLogP-1.98
TPSA48.12 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.21
LogP ≤ 5-1.98
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,4a,5,6,7,8,8a-decahydropyrimido[5,4-d]pyrimidine?
The IUPAC name of 1,2,3,4,4a,5,6,7,8,8a-decahydropyrimido[5,4-d]pyrimidine (CID 73195584) is 1,2,3,4,4a,5,6,7,8,8a-decahydropyrimido[5,4-d]pyrimidine.
What is the SMILES notation for 1,2,3,4,4a,5,6,7,8,8a-decahydropyrimido[5,4-d]pyrimidine?
The canonical SMILES for 1,2,3,4,4a,5,6,7,8,8a-decahydropyrimido[5,4-d]pyrimidine is C1NCC2NCNCC2N1.
What is the InChIKey of 1,2,3,4,4a,5,6,7,8,8a-decahydropyrimido[5,4-d]pyrimidine?
The InChIKey is JZLMDSAYNPSGTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N4/c1-5-6(10-3-7-1)2-8-4-9-5/h5-10H,1-4H2.
What are the key properties of 1,2,3,4,4a,5,6,7,8,8a-decahydropyrimido[5,4-d]pyrimidine?
1,2,3,4,4a,5,6,7,8,8a-decahydropyrimido[5,4-d]pyrimidine has a molecular weight of 142.21 g/mol, XLogP of -1.98, 0 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4,4a,5,6,7,8,8a-decahydropyrimido[5,4-d]pyrimidine is sourced from PubChem (CID 73195584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).