4-(1,1,2,2,2-pentadeuterioethylamino)-6-(propan-2-ylamino)-1H-1,3,5-triazin-2-one

C8H15N5O — CID 137231146

IUPAC4-(1,1,2,2,2-pentadeuterioethylamino)-6-(propan-2-ylamino)-1H-1,3,5-triazin-2-one
SMILES[2H]C([2H])([2H])C([2H])([2H])Nc1nc(NC(C)C)[nH]c(=O)n1
InChIInChI=1S/C8H15N5O/c1-4-9-6-11-7(10-5(2)3)13-8(14)12-6/h5H,4H2,1-3H3,(H3,9,10,11,12,13,14)/i1D3,4D2
InChIKeyNFMIMWNQWAWNDW-SGEUAGPISA-N
MW202.27 g/mol
LogP0.42
Rot. Bonds5

About 4-(1,1,2,2,2-pentadeuterioethylamino)-6-(propan-2-ylamino)-1H-1,3,5-triazin-2-one

4-(1,1,2,2,2-pentadeuterioethylamino)-6-(propan-2-ylamino)-1H-1,3,5-triazin-2-one (PubChem CID 137231146) has the molecular formula C8H15N5O and a molecular weight of 202.27 g/mol. Its IUPAC name is 4-(1,1,2,2,2-pentadeuterioethylamino)-6-(propan-2-ylamino)-1H-1,3,5-triazin-2-one.

Molecular Properties

Compound Name4-(1,1,2,2,2-pentadeuterioethylamino)-6-(propan-2-ylamino)-1H-1,3,5-triazin-2-one
PubChem CID137231146
Molecular FormulaC8H15N5O
Molecular Weight202.27 g/mol
Exact Mass202.16
IUPAC Name4-(1,1,2,2,2-pentadeuterioethylamino)-6-(propan-2-ylamino)-1H-1,3,5-triazin-2-one
SMILES[2H]C([2H])([2H])C([2H])([2H])Nc1nc(NC(C)C)[nH]c(=O)n1
InChIInChI=1S/C8H15N5O/c1-4-9-6-11-7(10-5(2)3)13-8(14)12-6/h5H,4H2,1-3H3,(H3,9,10,11,12,13,14)/i1D3,4D2
InChIKeyNFMIMWNQWAWNDW-SGEUAGPISA-N
XLogP0.42
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.27
LogP ≤ 50.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 4-(1,1,2,2,2-pentadeuterioethylamino)-6-(propan-2-ylamino)-1H-1,3,5-triazin-2-one with MolForge

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Launch Full Analysis

Related Compounds

6-amino-4-(propan-2-ylamino)-1H-1,3,5-triazin-2-one
CID 135510207
4,5,6,7-tetrabromo-N-propan-2-yl-1H-benzimidazol-2-amine
CID 11191050
4-[(2R)-1-(4-chloropyrazol-1-yl)propan-2-yl]-2-(propan-2-ylamino)-1H-pyrimidin-6-one
CID 135963317
2-N,4-N-bis(4-aminobutyl)-6-N-butyl-1,3,5-triazine-2,4,6-triamine;4,6-bis(6-aminohexylamino)-1H-1,3,5-triazin-2-one;2-[[4,6-bis(6-aminohexylamino)-1,3,5-triazin-2-yl]amino]ethanol;2-N,4-N-bis(6-aminohexyl)-6-chloro-1,3,5-triazine-2,4-diamine;2-N,4-N-bis(6-aminohexyl)-1,3,5-triazine-2,4,6-triamine;2-N,4-N,6-N-tris(4-aminobutyl)-1,3,5-triazine-2,4,6-triamine;2-N,4-N,6-N-tris(2-aminoethyl)-1,3,5-triazine-2,4,6-triamine;2-N,4-N,6-N-tris(6-aminohexyl)-1,3,5-triazine-2,4,6-triamine;2-N,4-N,6-N-tris(2-aminopropyl)-1,3,5-triazine-2,4,6-triamine
CID 157280418
6-chloro-4-N-(2-methylpropyl)-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine
CID 12539649
2-(propan-2-ylamino)-3,7-dihydropurine-6-thione
CID 134817853
4-nitro-N-propan-2-yl-1H-benzimidazol-2-amine
CID 10727632
6-(1,3-benzothiazol-6-ylamino)-4-(1-phenylethylamino)-1H-1,3,5-triazin-2-one
CID 135430575
N-[4-(propan-2-ylamino)-6-(propylamino)-1,3,5-triazin-2-yl]hydroxylamine
CID 90175544
2-[[4-chloro-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]amino]ethanethiol
CID 21434513
2-[[4-(2-aminoethylamino)-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]amino]ethanol
CID 23872852
3-[4-(ethylamino)-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]-2-fluorocyclohex-2-en-1-one
CID 166860057

Frequently Asked Questions

What is the IUPAC name of 4-(1,1,2,2,2-pentadeuterioethylamino)-6-(propan-2-ylamino)-1H-1,3,5-triazin-2-one?
The IUPAC name of 4-(1,1,2,2,2-pentadeuterioethylamino)-6-(propan-2-ylamino)-1H-1,3,5-triazin-2-one (CID 137231146) is 4-(1,1,2,2,2-pentadeuterioethylamino)-6-(propan-2-ylamino)-1H-1,3,5-triazin-2-one.
What is the SMILES notation for 4-(1,1,2,2,2-pentadeuterioethylamino)-6-(propan-2-ylamino)-1H-1,3,5-triazin-2-one?
The canonical SMILES for 4-(1,1,2,2,2-pentadeuterioethylamino)-6-(propan-2-ylamino)-1H-1,3,5-triazin-2-one is [2H]C([2H])([2H])C([2H])([2H])Nc1nc(NC(C)C)[nH]c(=O)n1.
What is the InChIKey of 4-(1,1,2,2,2-pentadeuterioethylamino)-6-(propan-2-ylamino)-1H-1,3,5-triazin-2-one?
The InChIKey is NFMIMWNQWAWNDW-SGEUAGPISA-N. The full InChI is InChI=1S/C8H15N5O/c1-4-9-6-11-7(10-5(2)3)13-8(14)12-6/h5H,4H2,1-3H3,(H3,9,10,11,12,13,14)/i1D3,4D2.
What are the key properties of 4-(1,1,2,2,2-pentadeuterioethylamino)-6-(propan-2-ylamino)-1H-1,3,5-triazin-2-one?
4-(1,1,2,2,2-pentadeuterioethylamino)-6-(propan-2-ylamino)-1H-1,3,5-triazin-2-one has a molecular weight of 202.27 g/mol, XLogP of 0.42, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,1,2,2,2-pentadeuterioethylamino)-6-(propan-2-ylamino)-1H-1,3,5-triazin-2-one is sourced from PubChem (CID 137231146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).