2-amino-6-(hydroxymethyl)-1,3-diazinan-4-one

C5H11N3O2 — CID 74659874

IUPAC2-amino-6-(hydroxymethyl)-1,3-diazinan-4-one
SMILESNC1NC(=O)CC(CO)N1
InChIInChI=1S/C5H11N3O2/c6-5-7-3(2-9)1-4(10)8-5/h3,5,7,9H,1-2,6H2,(H,8,10)
InChIKeyQIWNERJVOMAUMS-UHFFFAOYSA-N
MW145.16 g/mol
LogP-2.30
Rot. Bonds1

About 2-amino-6-(hydroxymethyl)-1,3-diazinan-4-one

2-amino-6-(hydroxymethyl)-1,3-diazinan-4-one (PubChem CID 74659874) has the molecular formula C5H11N3O2 and a molecular weight of 145.16 g/mol. Its IUPAC name is 2-amino-6-(hydroxymethyl)-1,3-diazinan-4-one.

Molecular Properties

Compound Name2-amino-6-(hydroxymethyl)-1,3-diazinan-4-one
PubChem CID74659874
Molecular FormulaC5H11N3O2
Molecular Weight145.16 g/mol
Exact Mass145.09
IUPAC Name2-amino-6-(hydroxymethyl)-1,3-diazinan-4-one
SMILESNC1NC(=O)CC(CO)N1
InChIInChI=1S/C5H11N3O2/c6-5-7-3(2-9)1-4(10)8-5/h3,5,7,9H,1-2,6H2,(H,8,10)
InChIKeyQIWNERJVOMAUMS-UHFFFAOYSA-N
XLogP-2.30
TPSA87.38 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.16
LogP ≤ 5-2.30
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 12795461
(4R)-4-(1-aminoethenoxymethyl)azetidin-2-one
CID 174305211
4-(2-oxopropyl)azetidin-2-one
CID 10887909
(4S)-4-propylazetidin-2-one
CID 18603540
(4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)piperidin-2-one
CID 89395311
(4S)-4-propylazetidin-2-one;hydrochloride
CID 66909952
(4R)-4-(methylsulfanylmethyl)azetidin-2-one
CID 20641349
ethane;6-(hydroxymethyl)piperazin-2-one
CID 170608951
4-oxoazetidine-2-carboxylate
CID 22451625
cis-(3S,4R)-3,4-bis(hydroxymethyl)cyclopentan-1-one
CID 11389450

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-(hydroxymethyl)-1,3-diazinan-4-one?
The IUPAC name of 2-amino-6-(hydroxymethyl)-1,3-diazinan-4-one (CID 74659874) is 2-amino-6-(hydroxymethyl)-1,3-diazinan-4-one.
What is the SMILES notation for 2-amino-6-(hydroxymethyl)-1,3-diazinan-4-one?
The canonical SMILES for 2-amino-6-(hydroxymethyl)-1,3-diazinan-4-one is NC1NC(=O)CC(CO)N1.
What is the InChIKey of 2-amino-6-(hydroxymethyl)-1,3-diazinan-4-one?
The InChIKey is QIWNERJVOMAUMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11N3O2/c6-5-7-3(2-9)1-4(10)8-5/h3,5,7,9H,1-2,6H2,(H,8,10).
What are the key properties of 2-amino-6-(hydroxymethyl)-1,3-diazinan-4-one?
2-amino-6-(hydroxymethyl)-1,3-diazinan-4-one has a molecular weight of 145.16 g/mol, XLogP of -2.30, 1 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-(hydroxymethyl)-1,3-diazinan-4-one is sourced from PubChem (CID 74659874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).