2,6-diamino-1,3-diazinan-4-one

C4H10N4O — CID 71651268

IUPAC2,6-diamino-1,3-diazinan-4-one
SMILESNC1CC(=O)NC(N)N1
InChIInChI=1S/C4H10N4O/c5-2-1-3(9)8-4(6)7-2/h2,4,7H,1,5-6H2,(H,8,9)
InChIKeyAVWNJKMVOWYLGJ-UHFFFAOYSA-N
MW130.15 g/mol
LogP-2.38
Rot. Bonds

About 2,6-diamino-1,3-diazinan-4-one

2,6-diamino-1,3-diazinan-4-one (PubChem CID 71651268) has the molecular formula C4H10N4O and a molecular weight of 130.15 g/mol. Its IUPAC name is 2,6-diamino-1,3-diazinan-4-one.

Molecular Properties

Compound Name2,6-diamino-1,3-diazinan-4-one
PubChem CID71651268
Molecular FormulaC4H10N4O
Molecular Weight130.15 g/mol
Exact Mass130.09
IUPAC Name2,6-diamino-1,3-diazinan-4-one
SMILESNC1CC(=O)NC(N)N1
InChIInChI=1S/C4H10N4O/c5-2-1-3(9)8-4(6)7-2/h2,4,7H,1,5-6H2,(H,8,9)
InChIKeyAVWNJKMVOWYLGJ-UHFFFAOYSA-N
XLogP-2.38
TPSA93.17 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.15
LogP ≤ 5-2.38
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

Dihydrouracil
CID 649
Dihydrothymine
CID 93556
Dihydrothymine, (5S)-
CID 676414
Hydrouracil, 1-methyl-
CID 237963
5,6-Dihydro-5-fluorouracil
CID 121997
(5R)-Dihydrothymine
CID 676415
1-Hydroxytetrahydropyrimidin-6-one
CID 15306181
(R)-5-Fluoro-5,6-dihydrouracil
CID 23236029
5,6-Dihydrofluoro-uracil
CID 73474406
3-Methyldihydropyrimidine-2,4(1h,3h)-dione
CID 533549
6-Amino-1,3-dimethyldihydropyrimidine-2,4(1H,3H)-dione
CID 13646772
Dihydropyrimidine-4,6(1h,5h)-dione
CID 18184240

Frequently Asked Questions

What is the IUPAC name of 2,6-diamino-1,3-diazinan-4-one?
The IUPAC name of 2,6-diamino-1,3-diazinan-4-one (CID 71651268) is 2,6-diamino-1,3-diazinan-4-one.
What is the SMILES notation for 2,6-diamino-1,3-diazinan-4-one?
The canonical SMILES for 2,6-diamino-1,3-diazinan-4-one is NC1CC(=O)NC(N)N1.
What is the InChIKey of 2,6-diamino-1,3-diazinan-4-one?
The InChIKey is AVWNJKMVOWYLGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10N4O/c5-2-1-3(9)8-4(6)7-2/h2,4,7H,1,5-6H2,(H,8,9).
What are the key properties of 2,6-diamino-1,3-diazinan-4-one?
2,6-diamino-1,3-diazinan-4-one has a molecular weight of 130.15 g/mol, XLogP of -2.38, 0 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-diamino-1,3-diazinan-4-one is sourced from PubChem (CID 71651268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).