[4-[[4-amino-6-(oxolan-2-ylmethylamino)-1,3,5-triazin-2-yl]methyl]piperazin-1-yl]-(furan-2-yl)methanone

C18H25N7O3 — CID 66507581

IUPAC[4-[[4-amino-6-(oxolan-2-ylmethylamino)-1,3,5-triazin-2-yl]methyl]piperazin-1-yl]-(furan-2-yl)methanone
SMILESNc1nc(CN2CCN(C(=O)c3ccco3)CC2)nc(NCC2CCCO2)n1
InChIInChI=1S/C18H25N7O3/c19-17-21-15(22-18(23-17)20-11-13-3-1-9-27-13)12-24-5-7-25(8-6-24)16(26)14-4-2-10-28-14/h2,4,10,13H,1,3,5-9,11-12H2,(H3,19,20,21,22,23)
InChIKeyPLIBUDBFYXARCZ-UHFFFAOYSA-N
MW387.44 g/mol
LogP0.60
Rot. Bonds6

About [4-[[4-amino-6-(oxolan-2-ylmethylamino)-1,3,5-triazin-2-yl]methyl]piperazin-1-yl]-(furan-2-yl)methanone

[4-[[4-amino-6-(oxolan-2-ylmethylamino)-1,3,5-triazin-2-yl]methyl]piperazin-1-yl]-(furan-2-yl)methanone (PubChem CID 66507581) has the molecular formula C18H25N7O3 and a molecular weight of 387.44 g/mol. Its IUPAC name is [4-[[4-amino-6-(oxolan-2-ylmethylamino)-1,3,5-triazin-2-yl]methyl]piperazin-1-yl]-(furan-2-yl)methanone.

Molecular Properties

Compound Name[4-[[4-amino-6-(oxolan-2-ylmethylamino)-1,3,5-triazin-2-yl]methyl]piperazin-1-yl]-(furan-2-yl)methanone
PubChem CID66507581
Molecular FormulaC18H25N7O3
Molecular Weight387.44 g/mol
Exact Mass387.20
IUPAC Name[4-[[4-amino-6-(oxolan-2-ylmethylamino)-1,3,5-triazin-2-yl]methyl]piperazin-1-yl]-(furan-2-yl)methanone
SMILESNc1nc(CN2CCN(C(=O)c3ccco3)CC2)nc(NCC2CCCO2)n1
InChIInChI=1S/C18H25N7O3/c19-17-21-15(22-18(23-17)20-11-13-3-1-9-27-13)12-24-5-7-25(8-6-24)16(26)14-4-2-10-28-14/h2,4,10,13H,1,3,5-9,11-12H2,(H3,19,20,21,22,23)
InChIKeyPLIBUDBFYXARCZ-UHFFFAOYSA-N
XLogP0.60
TPSA122.64 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze [4-[[4-amino-6-(oxolan-2-ylmethylamino)-1,3,5-triazin-2-yl]methyl]piperazin-1-yl]-(furan-2-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-2-N-(oxolan-2-ylmethyl)-1,3,5-triazine-2,4-diamine
CID 66507388
2-[4-(furan-2-carbonyl)piperazin-1-yl]-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide
CID 42691389
6-[4-(furan-2-carbonyl)piperazin-1-yl]-N-(oxolan-2-ylmethyl)pyridazine-3-carboxamide
CID 109115022
2-[6-[[4-(furan-2-carbonyl)piperazin-1-yl]methyl]-4-oxopyran-3-yl]oxy-N-(oxolan-2-ylmethyl)acetamide
CID 18575698
1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-(oxan-2-yl)ethanone
CID 110414536
(4-benzylpiperazin-1-yl)-[5-(oxolan-2-ylmethylamino)-2-pyridinyl]methanone
CID 109185136
(3R)-1-(furan-2-carbonyl)-N-[[(2R)-oxolan-2-yl]methyl]piperidine-3-carboxamide
CID 34750702
4-[4-(furan-2-ylmethyl)piperazine-1-carbonyl]-N-(oxolan-2-ylmethyl)benzenesulfonamide
CID 166196809
[2-(oxolan-2-ylmethylamino)pyrimidin-4-yl]-(4-phenylpiperazin-1-yl)methanone
CID 109300735
6-(4-benzylpiperazin-1-yl)-5-nitro-2-N-(oxolan-2-ylmethyl)pyrimidine-2,4-diamine
CID 3494968
[2-(oxolan-2-ylmethylamino)pyrimidin-4-yl]-piperidin-1-ylmethanone
CID 109298407
[4-[[5-(3-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl]piperazin-1-yl]-(furan-2-yl)methanone
CID 42692102

Frequently Asked Questions

What is the IUPAC name of [4-[[4-amino-6-(oxolan-2-ylmethylamino)-1,3,5-triazin-2-yl]methyl]piperazin-1-yl]-(furan-2-yl)methanone?
The IUPAC name of [4-[[4-amino-6-(oxolan-2-ylmethylamino)-1,3,5-triazin-2-yl]methyl]piperazin-1-yl]-(furan-2-yl)methanone (CID 66507581) is [4-[[4-amino-6-(oxolan-2-ylmethylamino)-1,3,5-triazin-2-yl]methyl]piperazin-1-yl]-(furan-2-yl)methanone.
What is the SMILES notation for [4-[[4-amino-6-(oxolan-2-ylmethylamino)-1,3,5-triazin-2-yl]methyl]piperazin-1-yl]-(furan-2-yl)methanone?
The canonical SMILES for [4-[[4-amino-6-(oxolan-2-ylmethylamino)-1,3,5-triazin-2-yl]methyl]piperazin-1-yl]-(furan-2-yl)methanone is Nc1nc(CN2CCN(C(=O)c3ccco3)CC2)nc(NCC2CCCO2)n1.
What is the InChIKey of [4-[[4-amino-6-(oxolan-2-ylmethylamino)-1,3,5-triazin-2-yl]methyl]piperazin-1-yl]-(furan-2-yl)methanone?
The InChIKey is PLIBUDBFYXARCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N7O3/c19-17-21-15(22-18(23-17)20-11-13-3-1-9-27-13)12-24-5-7-25(8-6-24)16(26)14-4-2-10-28-14/h2,4,10,13H,1,3,5-9,11-12H2,(H3,19,20,21,22,23).
What are the key properties of [4-[[4-amino-6-(oxolan-2-ylmethylamino)-1,3,5-triazin-2-yl]methyl]piperazin-1-yl]-(furan-2-yl)methanone?
[4-[[4-amino-6-(oxolan-2-ylmethylamino)-1,3,5-triazin-2-yl]methyl]piperazin-1-yl]-(furan-2-yl)methanone has a molecular weight of 387.44 g/mol, XLogP of 0.60, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[4-amino-6-(oxolan-2-ylmethylamino)-1,3,5-triazin-2-yl]methyl]piperazin-1-yl]-(furan-2-yl)methanone is sourced from PubChem (CID 66507581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).