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

C13H19N5O2 — CID 80804354

IUPAC2-N-[4-(furan-2-yl)butan-2-yl]-6-methoxy-4-N-methyl-1,3,5-triazine-2,4-diamine
SMILESCNc1nc(NC(C)CCc2ccco2)nc(OC)n1
InChIInChI=1S/C13H19N5O2/c1-9(6-7-10-5-4-8-20-10)15-12-16-11(14-2)17-13(18-12)19-3/h4-5,8-9H,6-7H2,1-3H3,(H2,14,15,16,17,18)
InChIKeyQRKSFYNWSOUZLF-UHFFFAOYSA-N
MW277.33 g/mol
LogP1.95
Rot. Bonds7

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

2-N-[4-(furan-2-yl)butan-2-yl]-6-methoxy-4-N-methyl-1,3,5-triazine-2,4-diamine (PubChem CID 80804354) has the molecular formula C13H19N5O2 and a molecular weight of 277.33 g/mol. Its IUPAC name is 2-N-[4-(furan-2-yl)butan-2-yl]-6-methoxy-4-N-methyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-[4-(furan-2-yl)butan-2-yl]-6-methoxy-4-N-methyl-1,3,5-triazine-2,4-diamine
PubChem CID80804354
Molecular FormulaC13H19N5O2
Molecular Weight277.33 g/mol
Exact Mass277.15
IUPAC Name2-N-[4-(furan-2-yl)butan-2-yl]-6-methoxy-4-N-methyl-1,3,5-triazine-2,4-diamine
SMILESCNc1nc(NC(C)CCc2ccco2)nc(OC)n1
InChIInChI=1S/C13H19N5O2/c1-9(6-7-10-5-4-8-20-10)15-12-16-11(14-2)17-13(18-12)19-3/h4-5,8-9H,6-7H2,1-3H3,(H2,14,15,16,17,18)
InChIKeyQRKSFYNWSOUZLF-UHFFFAOYSA-N
XLogP1.95
TPSA85.10 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.33
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-N-[4-(furan-2-yl)butan-2-yl]-6-methoxy-4-N-methyl-1,3,5-triazine-2,4-diamine with MolForge

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Related Compounds

N-[4-(furan-2-yl)butan-2-yl]-4,6-dimethoxy-1,3,5-triazin-2-amine
CID 62860172
6-chloro-2-N-[4-(furan-2-yl)butan-2-yl]-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 80804357
N-[1-(furan-2-yl)propan-2-yl]-4-hydrazinyl-6-methoxy-1,3,5-triazin-2-amine
CID 80896927
2-[4-(furan-2-yl)butan-2-ylamino]-6-methylpyrimidine-4-carboxylic acid
CID 107553533
N-[4-(furan-2-yl)butan-2-yl]pyridazin-3-amine
CID 62482242
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]quinoxalin-2-amine
CID 60716487
4-(furan-2-yl)-N-(2-methoxyethoxy)butan-2-amine
CID 82714632
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
6-methoxy-4-N-methyl-2-N-[1-(5-methylfuran-2-yl)ethyl]-1,3,5-triazine-2,4-diamine
CID 80800528
N-(furan-2-ylmethyl)-4-hydrazinyl-6-methoxy-1,3,5-triazin-2-amine
CID 80932085

Frequently Asked Questions

What is the IUPAC name of 2-N-[4-(furan-2-yl)butan-2-yl]-6-methoxy-4-N-methyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-[4-(furan-2-yl)butan-2-yl]-6-methoxy-4-N-methyl-1,3,5-triazine-2,4-diamine (CID 80804354) is 2-N-[4-(furan-2-yl)butan-2-yl]-6-methoxy-4-N-methyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-[4-(furan-2-yl)butan-2-yl]-6-methoxy-4-N-methyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-[4-(furan-2-yl)butan-2-yl]-6-methoxy-4-N-methyl-1,3,5-triazine-2,4-diamine is CNc1nc(NC(C)CCc2ccco2)nc(OC)n1.
What is the InChIKey of 2-N-[4-(furan-2-yl)butan-2-yl]-6-methoxy-4-N-methyl-1,3,5-triazine-2,4-diamine?
The InChIKey is QRKSFYNWSOUZLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O2/c1-9(6-7-10-5-4-8-20-10)15-12-16-11(14-2)17-13(18-12)19-3/h4-5,8-9H,6-7H2,1-3H3,(H2,14,15,16,17,18).
What are the key properties of 2-N-[4-(furan-2-yl)butan-2-yl]-6-methoxy-4-N-methyl-1,3,5-triazine-2,4-diamine?
2-N-[4-(furan-2-yl)butan-2-yl]-6-methoxy-4-N-methyl-1,3,5-triazine-2,4-diamine has a molecular weight of 277.33 g/mol, XLogP of 1.95, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[4-(furan-2-yl)butan-2-yl]-6-methoxy-4-N-methyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 80804354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).