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

C17H18ClN5O — CID 790413

IUPAC6-chloro-4-N-(furan-2-ylmethyl)-2-N-(4-propan-2-ylphenyl)-1,3,5-triazine-2,4-diamine
SMILESCC(C)c1ccc(Nc2nc(Cl)nc(NCc3ccco3)n2)cc1
InChIInChI=1S/C17H18ClN5O/c1-11(2)12-5-7-13(8-6-12)20-17-22-15(18)21-16(23-17)19-10-14-4-3-9-24-14/h3-9,11H,10H2,1-2H3,(H2,19,20,21,22,23)
InChIKeyJJPQIBZEMWVFNB-UHFFFAOYSA-N
MW343.82 g/mol
LogP4.60
Rot. Bonds6

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

6-chloro-4-N-(furan-2-ylmethyl)-2-N-(4-propan-2-ylphenyl)-1,3,5-triazine-2,4-diamine (PubChem CID 790413) has the molecular formula C17H18ClN5O and a molecular weight of 343.82 g/mol. Its IUPAC name is 6-chloro-4-N-(furan-2-ylmethyl)-2-N-(4-propan-2-ylphenyl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-chloro-4-N-(furan-2-ylmethyl)-2-N-(4-propan-2-ylphenyl)-1,3,5-triazine-2,4-diamine
PubChem CID790413
Molecular FormulaC17H18ClN5O
Molecular Weight343.82 g/mol
Exact Mass343.12
IUPAC Name6-chloro-4-N-(furan-2-ylmethyl)-2-N-(4-propan-2-ylphenyl)-1,3,5-triazine-2,4-diamine
SMILESCC(C)c1ccc(Nc2nc(Cl)nc(NCc3ccco3)n2)cc1
InChIInChI=1S/C17H18ClN5O/c1-11(2)12-5-7-13(8-6-12)20-17-22-15(18)21-16(23-17)19-10-14-4-3-9-24-14/h3-9,11H,10H2,1-2H3,(H2,19,20,21,22,23)
InChIKeyJJPQIBZEMWVFNB-UHFFFAOYSA-N
XLogP4.60
TPSA75.87 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.82
LogP ≤ 54.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 6-chloro-4-N-(furan-2-ylmethyl)-2-N-(4-propan-2-ylphenyl)-1,3,5-triazine-2,4-diamine with MolForge

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Related Compounds

6-chloro-4-N-(furan-2-ylmethyl)-2-N-(4-methoxyphenyl)-1,3,5-triazine-2,4-diamine
CID 694087
6-chloro-4-N-ethyl-2-N-(furan-2-ylmethyl)-1,3,5-triazine-2,4-diamine
CID 1146272
2-N,4-N-bis(4-fluorophenyl)-6-N-(furan-2-ylmethyl)-1,3,5-triazine-2,4,6-triamine;hydrochloride
CID 134140226
2-N-(4-chlorophenyl)-6-N-(furan-2-ylmethyl)-4-N-(4-nitrophenyl)-1,3,5-triazine-2,4,6-triamine
CID 3116177
6-chloro-2-N-(5-chloro-2-methoxyphenyl)-4-N-(furan-2-ylmethyl)-1,3,5-triazine-2,4-diamine
CID 1158968
2-N-(4-bromophenyl)-6-ethoxy-4-N-(furan-2-ylmethyl)-1,3,5-triazine-2,4-diamine
CID 58039345
6-chloro-4-N-(furan-2-ylmethyl)-2-N-(4-methoxyphenyl)pyrimidine-2,4-diamine
CID 90894993
4-chloro-N-(furan-2-ylmethyl)-6-propoxy-1,3,5-triazin-2-amine
CID 62869024
2-N-(furan-2-ylmethyl)-6-methyl-4-N-(4-methylphenyl)pyrimidine-2,4-diamine
CID 112915354
2-N-[(2-chlorophenyl)methylideneamino]-6-N-(furan-2-ylmethyl)-4-N-(4-methoxyphenyl)-1,3,5-triazine-2,4,6-triamine;hydrochloride
CID 91962085
2-N-(furan-2-ylmethyl)-6-methyl-4-N-(4-propan-2-yloxyphenyl)pyrimidine-2,4-diamine
CID 112915397
6-chloro-4-N-ethyl-2-N-[2-(furan-2-yl)ethyl]-1,3,5-triazine-2,4-diamine
CID 80802955

Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-N-(furan-2-ylmethyl)-2-N-(4-propan-2-ylphenyl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-chloro-4-N-(furan-2-ylmethyl)-2-N-(4-propan-2-ylphenyl)-1,3,5-triazine-2,4-diamine (CID 790413) is 6-chloro-4-N-(furan-2-ylmethyl)-2-N-(4-propan-2-ylphenyl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-chloro-4-N-(furan-2-ylmethyl)-2-N-(4-propan-2-ylphenyl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-chloro-4-N-(furan-2-ylmethyl)-2-N-(4-propan-2-ylphenyl)-1,3,5-triazine-2,4-diamine is CC(C)c1ccc(Nc2nc(Cl)nc(NCc3ccco3)n2)cc1.
What is the InChIKey of 6-chloro-4-N-(furan-2-ylmethyl)-2-N-(4-propan-2-ylphenyl)-1,3,5-triazine-2,4-diamine?
The InChIKey is JJPQIBZEMWVFNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN5O/c1-11(2)12-5-7-13(8-6-12)20-17-22-15(18)21-16(23-17)19-10-14-4-3-9-24-14/h3-9,11H,10H2,1-2H3,(H2,19,20,21,22,23).
What are the key properties of 6-chloro-4-N-(furan-2-ylmethyl)-2-N-(4-propan-2-ylphenyl)-1,3,5-triazine-2,4-diamine?
6-chloro-4-N-(furan-2-ylmethyl)-2-N-(4-propan-2-ylphenyl)-1,3,5-triazine-2,4-diamine has a molecular weight of 343.82 g/mol, XLogP of 4.60, 6 rotatable bonds, 2 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-(4-propan-2-ylphenyl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 790413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).