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

C15H13Cl2N5O2 — CID 1158968

IUPAC6-chloro-2-N-(5-chloro-2-methoxyphenyl)-4-N-(furan-2-ylmethyl)-1,3,5-triazine-2,4-diamine
SMILESCOc1ccc(Cl)cc1Nc1nc(Cl)nc(NCc2ccco2)n1
InChIInChI=1S/C15H13Cl2N5O2/c1-23-12-5-4-9(16)7-11(12)19-15-21-13(17)20-14(22-15)18-8-10-3-2-6-24-10/h2-7H,8H2,1H3,(H2,18,19,20,21,22)
InChIKeyMXGNZMDIPGUMEK-UHFFFAOYSA-N
MW366.21 g/mol
LogP4.14
Rot. Bonds6

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

6-chloro-2-N-(5-chloro-2-methoxyphenyl)-4-N-(furan-2-ylmethyl)-1,3,5-triazine-2,4-diamine (PubChem CID 1158968) has the molecular formula C15H13Cl2N5O2 and a molecular weight of 366.21 g/mol. Its IUPAC name is 6-chloro-2-N-(5-chloro-2-methoxyphenyl)-4-N-(furan-2-ylmethyl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-chloro-2-N-(5-chloro-2-methoxyphenyl)-4-N-(furan-2-ylmethyl)-1,3,5-triazine-2,4-diamine
PubChem CID1158968
Molecular FormulaC15H13Cl2N5O2
Molecular Weight366.21 g/mol
Exact Mass365.04
IUPAC Name6-chloro-2-N-(5-chloro-2-methoxyphenyl)-4-N-(furan-2-ylmethyl)-1,3,5-triazine-2,4-diamine
SMILESCOc1ccc(Cl)cc1Nc1nc(Cl)nc(NCc2ccco2)n1
InChIInChI=1S/C15H13Cl2N5O2/c1-23-12-5-4-9(16)7-11(12)19-15-21-13(17)20-14(22-15)18-8-10-3-2-6-24-10/h2-7H,8H2,1H3,(H2,18,19,20,21,22)
InChIKeyMXGNZMDIPGUMEK-UHFFFAOYSA-N
XLogP4.14
TPSA85.10 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.21
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

4-N-(5-chloro-2-methoxyphenyl)-6-N-(furan-2-ylmethyl)pyrimidine-4,5,6-triamine
CID 22546010
6-chloro-4-N-(furan-2-ylmethyl)-2-N-(4-methoxyphenyl)-1,3,5-triazine-2,4-diamine
CID 694087
6-chloro-2-N-(5-chloro-2-methoxyphenyl)-4-N-prop-2-enyl-1,3,5-triazine-2,4-diamine
CID 3152649
2-(5-chloro-2-methoxyanilino)-N-(furan-2-ylmethyl)pyrimidine-4-carboxamide
CID 109303517
N-(5-chloro-2-methoxyphenyl)-2-(furan-2-ylmethylamino)pyrimidine-4-carboxamide
CID 109303347
6-chloro-4-N-ethyl-2-N-(furan-2-ylmethyl)-1,3,5-triazine-2,4-diamine
CID 1146272
6-chloro-4-N-(furan-2-ylmethyl)-2-N-(4-propan-2-ylphenyl)-1,3,5-triazine-2,4-diamine
CID 790413
5-chloro-N-(furan-2-ylmethyl)-2-methoxybenzenesulfonamide
CID 686051
6-(5-chloro-2-methoxyanilino)-N-(furan-2-ylmethyl)pyrimidine-4-carboxamide
CID 109346394
4-N-(5-chloro-2-methylphenyl)-2-N-(furan-2-ylmethyl)-6-methylpyrimidine-2,4-diamine
CID 112915381
4-N-(4-chloro-2,5-dimethoxyphenyl)-2-N-(furan-2-ylmethyl)pyrimidine-2,4-diamine
CID 112889388
N-(furan-2-ylmethyl)-2-methoxy-5-methylaniline
CID 23879682

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-N-(5-chloro-2-methoxyphenyl)-4-N-(furan-2-ylmethyl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-chloro-2-N-(5-chloro-2-methoxyphenyl)-4-N-(furan-2-ylmethyl)-1,3,5-triazine-2,4-diamine (CID 1158968) is 6-chloro-2-N-(5-chloro-2-methoxyphenyl)-4-N-(furan-2-ylmethyl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-chloro-2-N-(5-chloro-2-methoxyphenyl)-4-N-(furan-2-ylmethyl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-chloro-2-N-(5-chloro-2-methoxyphenyl)-4-N-(furan-2-ylmethyl)-1,3,5-triazine-2,4-diamine is COc1ccc(Cl)cc1Nc1nc(Cl)nc(NCc2ccco2)n1.
What is the InChIKey of 6-chloro-2-N-(5-chloro-2-methoxyphenyl)-4-N-(furan-2-ylmethyl)-1,3,5-triazine-2,4-diamine?
The InChIKey is MXGNZMDIPGUMEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl2N5O2/c1-23-12-5-4-9(16)7-11(12)19-15-21-13(17)20-14(22-15)18-8-10-3-2-6-24-10/h2-7H,8H2,1H3,(H2,18,19,20,21,22).
What are the key properties of 6-chloro-2-N-(5-chloro-2-methoxyphenyl)-4-N-(furan-2-ylmethyl)-1,3,5-triazine-2,4-diamine?
6-chloro-2-N-(5-chloro-2-methoxyphenyl)-4-N-(furan-2-ylmethyl)-1,3,5-triazine-2,4-diamine has a molecular weight of 366.21 g/mol, XLogP of 4.14, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-N-(5-chloro-2-methoxyphenyl)-4-N-(furan-2-ylmethyl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 1158968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).