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

C14H20ClN5O — CID 695780

IUPAC6-chloro-4-N-(furan-2-ylmethyl)-2-N,2-N-dipropyl-1,3,5-triazine-2,4-diamine
SMILESCCCN(CCC)c1nc(Cl)nc(NCc2ccco2)n1
InChIInChI=1S/C14H20ClN5O/c1-3-7-20(8-4-2)14-18-12(15)17-13(19-14)16-10-11-6-5-9-21-11/h5-6,9H,3-4,7-8,10H2,1-2H3,(H,16,17,18,19)
InChIKeyUNQCRGVEZZJMHX-UHFFFAOYSA-N
MW309.80 g/mol
LogP3.36
Rot. Bonds8

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

6-chloro-4-N-(furan-2-ylmethyl)-2-N,2-N-dipropyl-1,3,5-triazine-2,4-diamine (PubChem CID 695780) has the molecular formula C14H20ClN5O and a molecular weight of 309.80 g/mol. Its IUPAC name is 6-chloro-4-N-(furan-2-ylmethyl)-2-N,2-N-dipropyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-chloro-4-N-(furan-2-ylmethyl)-2-N,2-N-dipropyl-1,3,5-triazine-2,4-diamine
PubChem CID695780
Molecular FormulaC14H20ClN5O
Molecular Weight309.80 g/mol
Exact Mass309.14
IUPAC Name6-chloro-4-N-(furan-2-ylmethyl)-2-N,2-N-dipropyl-1,3,5-triazine-2,4-diamine
SMILESCCCN(CCC)c1nc(Cl)nc(NCc2ccco2)n1
InChIInChI=1S/C14H20ClN5O/c1-3-7-20(8-4-2)14-18-12(15)17-13(19-14)16-10-11-6-5-9-21-11/h5-6,9H,3-4,7-8,10H2,1-2H3,(H,16,17,18,19)
InChIKeyUNQCRGVEZZJMHX-UHFFFAOYSA-N
XLogP3.36
TPSA67.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.80
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-N-(furan-2-ylmethyl)-2-N,2-N-dipropyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-chloro-4-N-(furan-2-ylmethyl)-2-N,2-N-dipropyl-1,3,5-triazine-2,4-diamine (CID 695780) is 6-chloro-4-N-(furan-2-ylmethyl)-2-N,2-N-dipropyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-chloro-4-N-(furan-2-ylmethyl)-2-N,2-N-dipropyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-chloro-4-N-(furan-2-ylmethyl)-2-N,2-N-dipropyl-1,3,5-triazine-2,4-diamine is CCCN(CCC)c1nc(Cl)nc(NCc2ccco2)n1.
What is the InChIKey of 6-chloro-4-N-(furan-2-ylmethyl)-2-N,2-N-dipropyl-1,3,5-triazine-2,4-diamine?
The InChIKey is UNQCRGVEZZJMHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN5O/c1-3-7-20(8-4-2)14-18-12(15)17-13(19-14)16-10-11-6-5-9-21-11/h5-6,9H,3-4,7-8,10H2,1-2H3,(H,16,17,18,19).
What are the key properties of 6-chloro-4-N-(furan-2-ylmethyl)-2-N,2-N-dipropyl-1,3,5-triazine-2,4-diamine?
6-chloro-4-N-(furan-2-ylmethyl)-2-N,2-N-dipropyl-1,3,5-triazine-2,4-diamine has a molecular weight of 309.80 g/mol, XLogP of 3.36, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-N-(furan-2-ylmethyl)-2-N,2-N-dipropyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 695780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).