2-N-[1-(furan-2-yl)propyl]-6-methyl-1,3,5-triazine-2,4-diamine

C11H15N5O — CID 59874337

IUPAC2-N-[1-(furan-2-yl)propyl]-6-methyl-1,3,5-triazine-2,4-diamine
SMILESCCC(Nc1nc(C)nc(N)n1)c1ccco1
InChIInChI=1S/C11H15N5O/c1-3-8(9-5-4-6-17-9)15-11-14-7(2)13-10(12)16-11/h4-6,8H,3H2,1-2H3,(H3,12,13,14,15,16)
InChIKeyBCJFPAFQYVYZAT-UHFFFAOYSA-N
MW233.28 g/mol
LogP1.92
Rot. Bonds4

About 2-N-[1-(furan-2-yl)propyl]-6-methyl-1,3,5-triazine-2,4-diamine

2-N-[1-(furan-2-yl)propyl]-6-methyl-1,3,5-triazine-2,4-diamine (PubChem CID 59874337) has the molecular formula C11H15N5O and a molecular weight of 233.28 g/mol. Its IUPAC name is 2-N-[1-(furan-2-yl)propyl]-6-methyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-[1-(furan-2-yl)propyl]-6-methyl-1,3,5-triazine-2,4-diamine
PubChem CID59874337
Molecular FormulaC11H15N5O
Molecular Weight233.28 g/mol
Exact Mass233.13
IUPAC Name2-N-[1-(furan-2-yl)propyl]-6-methyl-1,3,5-triazine-2,4-diamine
SMILESCCC(Nc1nc(C)nc(N)n1)c1ccco1
InChIInChI=1S/C11H15N5O/c1-3-8(9-5-4-6-17-9)15-11-14-7(2)13-10(12)16-11/h4-6,8H,3H2,1-2H3,(H3,12,13,14,15,16)
InChIKeyBCJFPAFQYVYZAT-UHFFFAOYSA-N
XLogP1.92
TPSA89.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.28
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-N-[1-(furan-2-yl)propyl]-6-methyl-1,3,5-triazine-2,4-diamine 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

N-allyl-6-chloro-N'-(2-furylmethyl)-1,3,5-triazine-2,4-diamine
CID 2053611
2-[[4-Chloro-6-(furan-2-ylmethylamino)-1,3,5-triazin-2-yl]amino]ethanol
CID 3141862
N-Allyl-6-ethoxy-N'-furan-2-ylmethyl-[1,3,5]triazine-2,4-diamine
CID 649892
6-Chloro-N-furan-2-ylmethyl-N',N'-dipropyl-[1,3,5]triazine-2,4-diamine
CID 695780
6-Ethoxy-N-furan-2-ylmethyl-N'-hexyl-[1,3,5]triazine-2,4-diamine
CID 3128957
6-(2-Furyl)-N,N-dimethyl-1,3,5-triazine-2,4-diamine
CID 745956
N-cyclohexyl-N-{4-[(2-furylmethyl)amino]-6-methoxy-1,3,5-triazin-2-yl}amine
CID 821248
6-Chloro-N-furan-2-ylmethyl-N'-octyl-[1,3,5]triazine-2,4-diamine
CID 3121128
s-Triazine, 2,4-bis(dimethylamino)-6-(2-furyl)-
CID 3039316
N-(furan-2-ylmethyl)-2-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide
CID 53338094
6-chloro-N-(furan-2-ylmethyl)-N'-hexyl-1,3,5-triazine-2,4-diamine
CID 3124820
N~1~,N~1~-diethyl-1-(2-furyl)-N~2~-1,3,5-triazin-2-ylethane-1,2-diamine
CID 91790667

Frequently Asked Questions

What is the IUPAC name of 2-N-[1-(furan-2-yl)propyl]-6-methyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-[1-(furan-2-yl)propyl]-6-methyl-1,3,5-triazine-2,4-diamine (CID 59874337) is 2-N-[1-(furan-2-yl)propyl]-6-methyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-[1-(furan-2-yl)propyl]-6-methyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-[1-(furan-2-yl)propyl]-6-methyl-1,3,5-triazine-2,4-diamine is CCC(Nc1nc(C)nc(N)n1)c1ccco1.
What is the InChIKey of 2-N-[1-(furan-2-yl)propyl]-6-methyl-1,3,5-triazine-2,4-diamine?
The InChIKey is BCJFPAFQYVYZAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5O/c1-3-8(9-5-4-6-17-9)15-11-14-7(2)13-10(12)16-11/h4-6,8H,3H2,1-2H3,(H3,12,13,14,15,16).
What are the key properties of 2-N-[1-(furan-2-yl)propyl]-6-methyl-1,3,5-triazine-2,4-diamine?
2-N-[1-(furan-2-yl)propyl]-6-methyl-1,3,5-triazine-2,4-diamine has a molecular weight of 233.28 g/mol, XLogP of 1.92, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[1-(furan-2-yl)propyl]-6-methyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 59874337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).