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

C13H18ClN5O — CID 80796768

IUPAC6-chloro-2-N-ethyl-2-N-(furan-2-ylmethyl)-4-N-propyl-1,3,5-triazine-2,4-diamine
SMILESCCCNc1nc(Cl)nc(N(CC)Cc2ccco2)n1
InChIInChI=1S/C13H18ClN5O/c1-3-7-15-12-16-11(14)17-13(18-12)19(4-2)9-10-6-5-8-20-10/h5-6,8H,3-4,7,9H2,1-2H3,(H,15,16,17,18)
InChIKeyAJCSMVSMWMWPCF-UHFFFAOYSA-N
MW295.77 g/mol
LogP2.97
Rot. Bonds7

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

6-chloro-2-N-ethyl-2-N-(furan-2-ylmethyl)-4-N-propyl-1,3,5-triazine-2,4-diamine (PubChem CID 80796768) has the molecular formula C13H18ClN5O and a molecular weight of 295.77 g/mol. Its IUPAC name is 6-chloro-2-N-ethyl-2-N-(furan-2-ylmethyl)-4-N-propyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-chloro-2-N-ethyl-2-N-(furan-2-ylmethyl)-4-N-propyl-1,3,5-triazine-2,4-diamine
PubChem CID80796768
Molecular FormulaC13H18ClN5O
Molecular Weight295.77 g/mol
Exact Mass295.12
IUPAC Name6-chloro-2-N-ethyl-2-N-(furan-2-ylmethyl)-4-N-propyl-1,3,5-triazine-2,4-diamine
SMILESCCCNc1nc(Cl)nc(N(CC)Cc2ccco2)n1
InChIInChI=1S/C13H18ClN5O/c1-3-7-15-12-16-11(14)17-13(18-12)19(4-2)9-10-6-5-8-20-10/h5-6,8H,3-4,7,9H2,1-2H3,(H,15,16,17,18)
InChIKeyAJCSMVSMWMWPCF-UHFFFAOYSA-N
XLogP2.97
TPSA67.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.77
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6-chloro-2-N-ethyl-2-N-(furan-2-ylmethyl)-4-N-propyl-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

6-chloro-2-N,2-N-diethyl-4-N-[1-(furan-2-yl)propan-2-yl]-1,3,5-triazine-2,4-diamine
CID 62864795
4-N-[2-(furan-2-yl)ethyl]-2-N,2-N-dimethyl-6-N-propyl-1,3,5-triazine-2,4,6-triamine
CID 80781292
6-chloro-4-N-ethyl-2-N-[2-(furan-2-yl)ethyl]-1,3,5-triazine-2,4-diamine
CID 80802955
2-N,2-N-diethyl-4-N-[2-(furan-2-yl)ethyl]-1,3,5-triazine-2,4,6-triamine
CID 80804048
2-N,2-N,6-N-triethyl-4-N-(furan-2-ylmethyl)-1,3,5-triazine-2,4,6-triamine
CID 80750440
6-chloro-2-N,2-N-diethyl-4-N-(2-phenylethyl)-1,3,5-triazine-2,4-diamine
CID 62870223
6-(furan-2-ylmethylsulfanyl)-2-N,2-N-dimethyl-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80892759
4-N-ethyl-4-N-(furan-2-ylmethyl)-2-methyl-6-N-propylpyrimidine-4,6-diamine
CID 80796536
6-chloro-4-N-(2-chloroethyl)-2-N,2-N-diethyl-1,3,5-triazine-2,4-diamine
CID 27378828
6-chloro-4-N-[[3-[[[4-chloro-6-(diethylamino)-1,3,5-triazin-2-yl]amino]methyl]phenyl]methyl]-2-N,2-N-diethyl-1,3,5-triazine-2,4-diamine
CID 11540669
4-chloro-6-ethoxy-N-[2-(furan-2-yl)ethyl]-1,3,5-triazin-2-amine
CID 62857408
6-chloro-2-N-ethyl-2-N-propan-2-yl-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80774018

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-N-ethyl-2-N-(furan-2-ylmethyl)-4-N-propyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-chloro-2-N-ethyl-2-N-(furan-2-ylmethyl)-4-N-propyl-1,3,5-triazine-2,4-diamine (CID 80796768) is 6-chloro-2-N-ethyl-2-N-(furan-2-ylmethyl)-4-N-propyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-chloro-2-N-ethyl-2-N-(furan-2-ylmethyl)-4-N-propyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-chloro-2-N-ethyl-2-N-(furan-2-ylmethyl)-4-N-propyl-1,3,5-triazine-2,4-diamine is CCCNc1nc(Cl)nc(N(CC)Cc2ccco2)n1.
What is the InChIKey of 6-chloro-2-N-ethyl-2-N-(furan-2-ylmethyl)-4-N-propyl-1,3,5-triazine-2,4-diamine?
The InChIKey is AJCSMVSMWMWPCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN5O/c1-3-7-15-12-16-11(14)17-13(18-12)19(4-2)9-10-6-5-8-20-10/h5-6,8H,3-4,7,9H2,1-2H3,(H,15,16,17,18).
What are the key properties of 6-chloro-2-N-ethyl-2-N-(furan-2-ylmethyl)-4-N-propyl-1,3,5-triazine-2,4-diamine?
6-chloro-2-N-ethyl-2-N-(furan-2-ylmethyl)-4-N-propyl-1,3,5-triazine-2,4-diamine has a molecular weight of 295.77 g/mol, XLogP of 2.97, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-N-ethyl-2-N-(furan-2-ylmethyl)-4-N-propyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 80796768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).