4-chloro-N-(4-methylphenyl)-6-morpholin-4-yl-1,3,5-triazin-2-amine

C14H16ClN5O — CID 1078716

IUPAC4-chloro-N-(4-methylphenyl)-6-morpholin-4-yl-1,3,5-triazin-2-amine
SMILESCc1ccc(Nc2nc(Cl)nc(N3CCOCC3)n2)cc1
InChIInChI=1S/C14H16ClN5O/c1-10-2-4-11(5-3-10)16-13-17-12(15)18-14(19-13)20-6-8-21-9-7-20/h2-5H,6-9H2,1H3,(H,16,17,18,19)
InChIKeyQPWSZPPSQBPNPD-UHFFFAOYSA-N
MW305.77 g/mol
LogP2.41
Rot. Bonds3

About 4-chloro-N-(4-methylphenyl)-6-morpholin-4-yl-1,3,5-triazin-2-amine

4-chloro-N-(4-methylphenyl)-6-morpholin-4-yl-1,3,5-triazin-2-amine (PubChem CID 1078716) has the molecular formula C14H16ClN5O and a molecular weight of 305.77 g/mol. Its IUPAC name is 4-chloro-N-(4-methylphenyl)-6-morpholin-4-yl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-N-(4-methylphenyl)-6-morpholin-4-yl-1,3,5-triazin-2-amine
PubChem CID1078716
Molecular FormulaC14H16ClN5O
Molecular Weight305.77 g/mol
Exact Mass305.10
IUPAC Name4-chloro-N-(4-methylphenyl)-6-morpholin-4-yl-1,3,5-triazin-2-amine
SMILESCc1ccc(Nc2nc(Cl)nc(N3CCOCC3)n2)cc1
InChIInChI=1S/C14H16ClN5O/c1-10-2-4-11(5-3-10)16-13-17-12(15)18-14(19-13)20-6-8-21-9-7-20/h2-5H,6-9H2,1H3,(H,16,17,18,19)
InChIKeyQPWSZPPSQBPNPD-UHFFFAOYSA-N
XLogP2.41
TPSA63.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.77
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(4-methylphenyl)-6-morpholin-4-yl-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-N-(4-methylphenyl)-6-morpholin-4-yl-1,3,5-triazin-2-amine (CID 1078716) is 4-chloro-N-(4-methylphenyl)-6-morpholin-4-yl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-N-(4-methylphenyl)-6-morpholin-4-yl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-N-(4-methylphenyl)-6-morpholin-4-yl-1,3,5-triazin-2-amine is Cc1ccc(Nc2nc(Cl)nc(N3CCOCC3)n2)cc1.
What is the InChIKey of 4-chloro-N-(4-methylphenyl)-6-morpholin-4-yl-1,3,5-triazin-2-amine?
The InChIKey is QPWSZPPSQBPNPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN5O/c1-10-2-4-11(5-3-10)16-13-17-12(15)18-14(19-13)20-6-8-21-9-7-20/h2-5H,6-9H2,1H3,(H,16,17,18,19).
What are the key properties of 4-chloro-N-(4-methylphenyl)-6-morpholin-4-yl-1,3,5-triazin-2-amine?
4-chloro-N-(4-methylphenyl)-6-morpholin-4-yl-1,3,5-triazin-2-amine has a molecular weight of 305.77 g/mol, XLogP of 2.41, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(4-methylphenyl)-6-morpholin-4-yl-1,3,5-triazin-2-amine is sourced from PubChem (CID 1078716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).