N-[4-(furan-2-yl)butan-2-yl]-4,6-dimethoxy-1,3,5-triazin-2-amine

C13H18N4O3 — CID 62860172

IUPACN-[4-(furan-2-yl)butan-2-yl]-4,6-dimethoxy-1,3,5-triazin-2-amine
SMILESCOc1nc(NC(C)CCc2ccco2)nc(OC)n1
InChIInChI=1S/C13H18N4O3/c1-9(6-7-10-5-4-8-20-10)14-11-15-12(18-2)17-13(16-11)19-3/h4-5,8-9H,6-7H2,1-3H3,(H,14,15,16,17)
InChIKeyFMBZBZZHUKSOTO-UHFFFAOYSA-N
MW278.31 g/mol
LogP1.91
Rot. Bonds7

About N-[4-(furan-2-yl)butan-2-yl]-4,6-dimethoxy-1,3,5-triazin-2-amine

N-[4-(furan-2-yl)butan-2-yl]-4,6-dimethoxy-1,3,5-triazin-2-amine (PubChem CID 62860172) has the molecular formula C13H18N4O3 and a molecular weight of 278.31 g/mol. Its IUPAC name is N-[4-(furan-2-yl)butan-2-yl]-4,6-dimethoxy-1,3,5-triazin-2-amine.

Molecular Properties

Compound NameN-[4-(furan-2-yl)butan-2-yl]-4,6-dimethoxy-1,3,5-triazin-2-amine
PubChem CID62860172
Molecular FormulaC13H18N4O3
Molecular Weight278.31 g/mol
Exact Mass278.14
IUPAC NameN-[4-(furan-2-yl)butan-2-yl]-4,6-dimethoxy-1,3,5-triazin-2-amine
SMILESCOc1nc(NC(C)CCc2ccco2)nc(OC)n1
InChIInChI=1S/C13H18N4O3/c1-9(6-7-10-5-4-8-20-10)14-11-15-12(18-2)17-13(16-11)19-3/h4-5,8-9H,6-7H2,1-3H3,(H,14,15,16,17)
InChIKeyFMBZBZZHUKSOTO-UHFFFAOYSA-N
XLogP1.91
TPSA82.30 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-N-[4-(furan-2-yl)butan-2-yl]-6-methoxy-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 80804354
N-[1-(furan-2-yl)propan-2-yl]-4-hydrazinyl-6-methoxy-1,3,5-triazin-2-amine
CID 80896927
6-chloro-2-N-[4-(furan-2-yl)butan-2-yl]-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 80804357
2-[4-(furan-2-yl)butan-2-ylamino]-6-methylpyrimidine-4-carboxylic acid
CID 107553533
2-N-[4-(furan-2-yl)butan-2-yl]-4,5-dimethoxybenzene-1,2-diamine
CID 83004449
N-[4-(furan-2-yl)butan-2-yl]acridin-9-amine
CID 4516381
N-[4-(furan-2-yl)butan-2-yl]-2,5-dimethoxyaniline
CID 43478801
3-N-(4,6-dimethoxy-1,3,5-triazin-2-yl)butane-1,3-diamine
CID 83178530
4-ethyl-N-[4-(furan-2-yl)butan-2-yl]-1,3-thiazol-2-amine
CID 62961372
5-[4-(furan-2-yl)butan-2-ylamino]-2-methoxyphenol
CID 43743871
3-fluoro-N-[4-(furan-2-yl)butan-2-yl]-4-methoxyaniline
CID 43478969
4-(furan-2-yl)-N-[(6-methoxy-2-pyridinyl)methyl]butan-2-amine
CID 63985074

Frequently Asked Questions

What is the IUPAC name of N-[4-(furan-2-yl)butan-2-yl]-4,6-dimethoxy-1,3,5-triazin-2-amine?
The IUPAC name of N-[4-(furan-2-yl)butan-2-yl]-4,6-dimethoxy-1,3,5-triazin-2-amine (CID 62860172) is N-[4-(furan-2-yl)butan-2-yl]-4,6-dimethoxy-1,3,5-triazin-2-amine.
What is the SMILES notation for N-[4-(furan-2-yl)butan-2-yl]-4,6-dimethoxy-1,3,5-triazin-2-amine?
The canonical SMILES for N-[4-(furan-2-yl)butan-2-yl]-4,6-dimethoxy-1,3,5-triazin-2-amine is COc1nc(NC(C)CCc2ccco2)nc(OC)n1.
What is the InChIKey of N-[4-(furan-2-yl)butan-2-yl]-4,6-dimethoxy-1,3,5-triazin-2-amine?
The InChIKey is FMBZBZZHUKSOTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O3/c1-9(6-7-10-5-4-8-20-10)14-11-15-12(18-2)17-13(16-11)19-3/h4-5,8-9H,6-7H2,1-3H3,(H,14,15,16,17).
What are the key properties of N-[4-(furan-2-yl)butan-2-yl]-4,6-dimethoxy-1,3,5-triazin-2-amine?
N-[4-(furan-2-yl)butan-2-yl]-4,6-dimethoxy-1,3,5-triazin-2-amine has a molecular weight of 278.31 g/mol, XLogP of 1.91, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(furan-2-yl)butan-2-yl]-4,6-dimethoxy-1,3,5-triazin-2-amine is sourced from PubChem (CID 62860172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).