4-N-ethyl-2-N-(furan-3-ylmethyl)-2-N-methyl-6-propoxy-1,3,5-triazine-2,4-diamine

C14H21N5O2 — CID 80780556

IUPAC4-N-ethyl-2-N-(furan-3-ylmethyl)-2-N-methyl-6-propoxy-1,3,5-triazine-2,4-diamine
SMILESCCCOc1nc(NCC)nc(N(C)Cc2ccoc2)n1
InChIInChI=1S/C14H21N5O2/c1-4-7-21-14-17-12(15-5-2)16-13(18-14)19(3)9-11-6-8-20-10-11/h6,8,10H,4-5,7,9H2,1-3H3,(H,15,16,17,18)
InChIKeyJWFNYBAJQHEVSX-UHFFFAOYSA-N
MW291.36 g/mol
LogP2.32
Rot. Bonds8

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

4-N-ethyl-2-N-(furan-3-ylmethyl)-2-N-methyl-6-propoxy-1,3,5-triazine-2,4-diamine (PubChem CID 80780556) has the molecular formula C14H21N5O2 and a molecular weight of 291.36 g/mol. Its IUPAC name is 4-N-ethyl-2-N-(furan-3-ylmethyl)-2-N-methyl-6-propoxy-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name4-N-ethyl-2-N-(furan-3-ylmethyl)-2-N-methyl-6-propoxy-1,3,5-triazine-2,4-diamine
PubChem CID80780556
Molecular FormulaC14H21N5O2
Molecular Weight291.36 g/mol
Exact Mass291.17
IUPAC Name4-N-ethyl-2-N-(furan-3-ylmethyl)-2-N-methyl-6-propoxy-1,3,5-triazine-2,4-diamine
SMILESCCCOc1nc(NCC)nc(N(C)Cc2ccoc2)n1
InChIInChI=1S/C14H21N5O2/c1-4-7-21-14-17-12(15-5-2)16-13(18-14)19(3)9-11-6-8-20-10-11/h6,8,10H,4-5,7,9H2,1-3H3,(H,15,16,17,18)
InChIKeyJWFNYBAJQHEVSX-UHFFFAOYSA-N
XLogP2.32
TPSA76.31 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.36
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-N-ethyl-2-N-(furan-3-ylmethyl)-2-N-methyl-6-propoxy-1,3,5-triazine-2,4-diamine with MolForge

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Launch Full Analysis

Related Compounds

4-hydrazinyl-N-methyl-6-propoxy-N-(pyridin-4-ylmethyl)-1,3,5-triazin-2-amine
CID 80898353
2-N,4-N-dimethyl-2-N-[(2-methylfuran-3-yl)methyl]-6-propoxy-1,3,5-triazine-2,4-diamine
CID 80779456
2-N,4-N-diethyl-6-propoxy-2-N-propyl-1,3,5-triazine-2,4-diamine
CID 80774045
6-ethoxy-4-N-ethyl-2-N-methyl-2-N-[(1-methylimidazol-2-yl)methyl]-1,3,5-triazine-2,4-diamine
CID 80811135
2-N-[(5-chlorothiophen-2-yl)methyl]-2-N,4-N-dimethyl-6-propoxy-1,3,5-triazine-2,4-diamine
CID 80780610
2-N-butyl-2-N,4-N-diethyl-6-propoxy-1,3,5-triazine-2,4-diamine
CID 80753958
2-N,2-N-dimethyl-6-propoxy-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80766033
4-N-ethyl-2-N-methyl-2-N-(oxolan-3-yl)-6-propoxy-1,3,5-triazine-2,4-diamine
CID 82745449
4-chloro-N-methyl-N-[(4-methylphenyl)methyl]-6-propoxy-1,3,5-triazin-2-amine
CID 62868348
6-ethoxy-4-N-ethyl-2-N-(3-methoxypropyl)-2-N-methyl-1,3,5-triazine-2,4-diamine
CID 80823798
N-ethyl-4-(2-methylazepan-1-yl)-6-propoxy-1,3,5-triazin-2-amine
CID 80821345
4-(2,2-difluoroethoxy)-N-ethyl-6-propoxy-1,3,5-triazin-2-amine
CID 82010193

Frequently Asked Questions

What is the IUPAC name of 4-N-ethyl-2-N-(furan-3-ylmethyl)-2-N-methyl-6-propoxy-1,3,5-triazine-2,4-diamine?
The IUPAC name of 4-N-ethyl-2-N-(furan-3-ylmethyl)-2-N-methyl-6-propoxy-1,3,5-triazine-2,4-diamine (CID 80780556) is 4-N-ethyl-2-N-(furan-3-ylmethyl)-2-N-methyl-6-propoxy-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 4-N-ethyl-2-N-(furan-3-ylmethyl)-2-N-methyl-6-propoxy-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 4-N-ethyl-2-N-(furan-3-ylmethyl)-2-N-methyl-6-propoxy-1,3,5-triazine-2,4-diamine is CCCOc1nc(NCC)nc(N(C)Cc2ccoc2)n1.
What is the InChIKey of 4-N-ethyl-2-N-(furan-3-ylmethyl)-2-N-methyl-6-propoxy-1,3,5-triazine-2,4-diamine?
The InChIKey is JWFNYBAJQHEVSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5O2/c1-4-7-21-14-17-12(15-5-2)16-13(18-14)19(3)9-11-6-8-20-10-11/h6,8,10H,4-5,7,9H2,1-3H3,(H,15,16,17,18).
What are the key properties of 4-N-ethyl-2-N-(furan-3-ylmethyl)-2-N-methyl-6-propoxy-1,3,5-triazine-2,4-diamine?
4-N-ethyl-2-N-(furan-3-ylmethyl)-2-N-methyl-6-propoxy-1,3,5-triazine-2,4-diamine has a molecular weight of 291.36 g/mol, XLogP of 2.32, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-ethyl-2-N-(furan-3-ylmethyl)-2-N-methyl-6-propoxy-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 80780556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).