2-N-(furan-2-ylmethyl)-6-(piperidin-1-ylmethyl)-1,3,5-triazine-2,4-diamine

C14H20N6O — CID 66507544

IUPAC2-N-(furan-2-ylmethyl)-6-(piperidin-1-ylmethyl)-1,3,5-triazine-2,4-diamine
SMILESNc1nc(CN2CCCCC2)nc(NCc2ccco2)n1
InChIInChI=1S/C14H20N6O/c15-13-17-12(10-20-6-2-1-3-7-20)18-14(19-13)16-9-11-5-4-8-21-11/h4-5,8H,1-3,6-7,9-10H2,(H3,15,16,17,18,19)
InChIKeyLVSMDUMCSDKBKB-UHFFFAOYSA-N
MW288.35 g/mol
LogP1.64
Rot. Bonds5

About 2-N-(furan-2-ylmethyl)-6-(piperidin-1-ylmethyl)-1,3,5-triazine-2,4-diamine

2-N-(furan-2-ylmethyl)-6-(piperidin-1-ylmethyl)-1,3,5-triazine-2,4-diamine (PubChem CID 66507544) has the molecular formula C14H20N6O and a molecular weight of 288.35 g/mol. Its IUPAC name is 2-N-(furan-2-ylmethyl)-6-(piperidin-1-ylmethyl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-(furan-2-ylmethyl)-6-(piperidin-1-ylmethyl)-1,3,5-triazine-2,4-diamine
PubChem CID66507544
Molecular FormulaC14H20N6O
Molecular Weight288.35 g/mol
Exact Mass288.17
IUPAC Name2-N-(furan-2-ylmethyl)-6-(piperidin-1-ylmethyl)-1,3,5-triazine-2,4-diamine
SMILESNc1nc(CN2CCCCC2)nc(NCc2ccco2)n1
InChIInChI=1S/C14H20N6O/c15-13-17-12(10-20-6-2-1-3-7-20)18-14(19-13)16-9-11-5-4-8-21-11/h4-5,8H,1-3,6-7,9-10H2,(H3,15,16,17,18,19)
InChIKeyLVSMDUMCSDKBKB-UHFFFAOYSA-N
XLogP1.64
TPSA93.10 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

6-[(2,6-dimethylpiperidin-1-yl)methyl]-2-N-(furan-2-ylmethyl)-1,3,5-triazine-2,4-diamine
CID 66507578
1-(furan-2-ylmethyl)piperidine;methanamine
CID 162741090
6-(azepan-1-ylmethyl)-2-N-(4-fluorophenyl)-1,3,5-triazine-2,4-diamine
CID 753517
6-(pyrrolidin-1-ylmethyl)-1,3,5-triazine-2,4-diamine
CID 130685335
6-[(4-benzylpiperazin-1-yl)methyl]-2-N-[(4-chlorophenyl)methyl]-1,3,5-triazine-2,4-diamine
CID 66507575
[4-[[4-amino-6-(oxolan-2-ylmethylamino)-1,3,5-triazin-2-yl]methyl]piperazin-1-yl]-(furan-2-yl)methanone
CID 66507581
azepan-1-yl-[2-(furan-2-ylmethylamino)pyrimidin-4-yl]methanone
CID 109303309
N-(furan-2-ylmethyl)-2-pyrrolidin-1-ylpyridin-3-amine
CID 43676420
2-N-(4-fluorophenyl)-6-[[4-(furan-2-ylmethyl)-5-piperidin-1-yl-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3,5-triazine-2,4-diamine
CID 42470447
1-[3-(furan-2-yl)propyl]piperidine
CID 162740839
4-(furan-2-ylmethylsulfanyl)-6-piperidin-1-yl-1,3,5-triazin-2-amine
CID 80893879
4-[4-(furan-2-ylmethyl)piperazin-1-yl]-6-methylpyrimidin-2-amine
CID 56810604

Frequently Asked Questions

What is the IUPAC name of 2-N-(furan-2-ylmethyl)-6-(piperidin-1-ylmethyl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-(furan-2-ylmethyl)-6-(piperidin-1-ylmethyl)-1,3,5-triazine-2,4-diamine (CID 66507544) is 2-N-(furan-2-ylmethyl)-6-(piperidin-1-ylmethyl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-(furan-2-ylmethyl)-6-(piperidin-1-ylmethyl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-(furan-2-ylmethyl)-6-(piperidin-1-ylmethyl)-1,3,5-triazine-2,4-diamine is Nc1nc(CN2CCCCC2)nc(NCc2ccco2)n1.
What is the InChIKey of 2-N-(furan-2-ylmethyl)-6-(piperidin-1-ylmethyl)-1,3,5-triazine-2,4-diamine?
The InChIKey is LVSMDUMCSDKBKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N6O/c15-13-17-12(10-20-6-2-1-3-7-20)18-14(19-13)16-9-11-5-4-8-21-11/h4-5,8H,1-3,6-7,9-10H2,(H3,15,16,17,18,19).
What are the key properties of 2-N-(furan-2-ylmethyl)-6-(piperidin-1-ylmethyl)-1,3,5-triazine-2,4-diamine?
2-N-(furan-2-ylmethyl)-6-(piperidin-1-ylmethyl)-1,3,5-triazine-2,4-diamine has a molecular weight of 288.35 g/mol, XLogP of 1.64, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(furan-2-ylmethyl)-6-(piperidin-1-ylmethyl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 66507544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).