[amino-[(5R)-1-methyl-2,4-dioxo-1,3-diazinan-5-yl]methylidene]azanium

C6H11N4O2+ — CID 6933599

IUPAC[amino-[(5R)-1-methyl-2,4-dioxo-1,3-diazinan-5-yl]methylidene]azanium
SMILESCN1C[C@H](C(N)=[NH2+])C(=O)NC1=O
InChIInChI=1S/C6H10N4O2/c1-10-2-3(4(7)8)5(11)9-6(10)12/h3H,2H2,1H3,(H3,7,8)(H,9,11,12)/p+1/t3-/m1/s1
InChIKeyIXPNQXFRVYWDDI-GSVOUGTGSA-O
MW171.18 g/mol
LogP-3.10
Rot. Bonds1

About [amino-[(5R)-1-methyl-2,4-dioxo-1,3-diazinan-5-yl]methylidene]azanium

[amino-[(5R)-1-methyl-2,4-dioxo-1,3-diazinan-5-yl]methylidene]azanium (PubChem CID 6933599) has the molecular formula C6H11N4O2+ and a molecular weight of 171.18 g/mol. Its IUPAC name is [amino-[(5R)-1-methyl-2,4-dioxo-1,3-diazinan-5-yl]methylidene]azanium.

Molecular Properties

Compound Name[amino-[(5R)-1-methyl-2,4-dioxo-1,3-diazinan-5-yl]methylidene]azanium
PubChem CID6933599
Molecular FormulaC6H11N4O2+
Molecular Weight171.18 g/mol
Exact Mass171.09
IUPAC Name[amino-[(5R)-1-methyl-2,4-dioxo-1,3-diazinan-5-yl]methylidene]azanium
SMILESCN1C[C@H](C(N)=[NH2+])C(=O)NC1=O
InChIInChI=1S/C6H10N4O2/c1-10-2-3(4(7)8)5(11)9-6(10)12/h3H,2H2,1H3,(H3,7,8)(H,9,11,12)/p+1/t3-/m1/s1
InChIKeyIXPNQXFRVYWDDI-GSVOUGTGSA-O
XLogP-3.10
TPSA101.02 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.18
LogP ≤ 5-3.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2,4-Dioxo-1-(2-oxoethyl)hexahydro-5-pyrimidinecarboximidamide
CID 376278
1,5-Dimethyldihydropyrimidine-2,4(1h,3h)-dione
CID 239593
5-Amidinobarbiturate
CID 129816911
Dihydro-6-imino-1,3-dimethyluracil
CID 87278
1-Methyl-2,4-dioxohexahydro-5-pyrimidinecarboximidamide
CID 2766696
1-Butyl-6-imino-1,3-diazinane-2,4-dione
CID 134870171
1-(2-Methoxyethyl)-2,4-dioxo-1,3-diazinane-5-carboximidamide
CID 2765656
6-Imino-1-methyl-1,3-diazinane-2,4-dione
CID 14483225
6-Imino-3-propyl-1,3-diazinane-2,4-dione
CID 140537496
3-[2-(Dimethylamino)ethyl]-6-imino-1,3-diazinane-2,4-dione
CID 140537498
6-Imino-5-methyl-1,3-diazinane-2,4-dione
CID 144031976
6-Imino-3-methyl-1,3-diazinane-2,4-dione
CID 145724178

Frequently Asked Questions

What is the IUPAC name of [amino-[(5R)-1-methyl-2,4-dioxo-1,3-diazinan-5-yl]methylidene]azanium?
The IUPAC name of [amino-[(5R)-1-methyl-2,4-dioxo-1,3-diazinan-5-yl]methylidene]azanium (CID 6933599) is [amino-[(5R)-1-methyl-2,4-dioxo-1,3-diazinan-5-yl]methylidene]azanium.
What is the SMILES notation for [amino-[(5R)-1-methyl-2,4-dioxo-1,3-diazinan-5-yl]methylidene]azanium?
The canonical SMILES for [amino-[(5R)-1-methyl-2,4-dioxo-1,3-diazinan-5-yl]methylidene]azanium is CN1C[C@H](C(N)=[NH2+])C(=O)NC1=O.
What is the InChIKey of [amino-[(5R)-1-methyl-2,4-dioxo-1,3-diazinan-5-yl]methylidene]azanium?
The InChIKey is IXPNQXFRVYWDDI-GSVOUGTGSA-O. The full InChI is InChI=1S/C6H10N4O2/c1-10-2-3(4(7)8)5(11)9-6(10)12/h3H,2H2,1H3,(H3,7,8)(H,9,11,12)/p+1/t3-/m1/s1.
What are the key properties of [amino-[(5R)-1-methyl-2,4-dioxo-1,3-diazinan-5-yl]methylidene]azanium?
[amino-[(5R)-1-methyl-2,4-dioxo-1,3-diazinan-5-yl]methylidene]azanium has a molecular weight of 171.18 g/mol, XLogP of -3.10, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [amino-[(5R)-1-methyl-2,4-dioxo-1,3-diazinan-5-yl]methylidene]azanium is sourced from PubChem (CID 6933599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).