4-(3-chloro-5-morpholin-3-ylphenyl)-6-methyl-1,3,5-triazin-2-amine

C14H16ClN5O — CID 177307063

IUPAC4-(3-chloro-5-morpholin-3-ylphenyl)-6-methyl-1,3,5-triazin-2-amine
SMILESCc1nc(N)nc(-c2cc(Cl)cc(C3COCCN3)c2)n1
InChIInChI=1S/C14H16ClN5O/c1-8-18-13(20-14(16)19-8)10-4-9(5-11(15)6-10)12-7-21-3-2-17-12/h4-6,12,17H,2-3,7H2,1H3,(H2,16,18,19,20)
InChIKeyIPTKAPCEKFGYJE-UHFFFAOYSA-N
MW305.77 g/mol
LogP1.74
Rot. Bonds2

About 4-(3-chloro-5-morpholin-3-ylphenyl)-6-methyl-1,3,5-triazin-2-amine

4-(3-chloro-5-morpholin-3-ylphenyl)-6-methyl-1,3,5-triazin-2-amine (PubChem CID 177307063) has the molecular formula C14H16ClN5O and a molecular weight of 305.77 g/mol. Its IUPAC name is 4-(3-chloro-5-morpholin-3-ylphenyl)-6-methyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-(3-chloro-5-morpholin-3-ylphenyl)-6-methyl-1,3,5-triazin-2-amine
PubChem CID177307063
Molecular FormulaC14H16ClN5O
Molecular Weight305.77 g/mol
Exact Mass305.10
IUPAC Name4-(3-chloro-5-morpholin-3-ylphenyl)-6-methyl-1,3,5-triazin-2-amine
SMILESCc1nc(N)nc(-c2cc(Cl)cc(C3COCCN3)c2)n1
InChIInChI=1S/C14H16ClN5O/c1-8-18-13(20-14(16)19-8)10-4-9(5-11(15)6-10)12-7-21-3-2-17-12/h4-6,12,17H,2-3,7H2,1H3,(H2,16,18,19,20)
InChIKeyIPTKAPCEKFGYJE-UHFFFAOYSA-N
XLogP1.74
TPSA85.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.77
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(3-chloro-5-morpholin-3-ylphenyl)-6-methyl-1,3,5-triazin-2-amine?
The IUPAC name of 4-(3-chloro-5-morpholin-3-ylphenyl)-6-methyl-1,3,5-triazin-2-amine (CID 177307063) is 4-(3-chloro-5-morpholin-3-ylphenyl)-6-methyl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-(3-chloro-5-morpholin-3-ylphenyl)-6-methyl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-(3-chloro-5-morpholin-3-ylphenyl)-6-methyl-1,3,5-triazin-2-amine is Cc1nc(N)nc(-c2cc(Cl)cc(C3COCCN3)c2)n1.
What is the InChIKey of 4-(3-chloro-5-morpholin-3-ylphenyl)-6-methyl-1,3,5-triazin-2-amine?
The InChIKey is IPTKAPCEKFGYJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN5O/c1-8-18-13(20-14(16)19-8)10-4-9(5-11(15)6-10)12-7-21-3-2-17-12/h4-6,12,17H,2-3,7H2,1H3,(H2,16,18,19,20).
What are the key properties of 4-(3-chloro-5-morpholin-3-ylphenyl)-6-methyl-1,3,5-triazin-2-amine?
4-(3-chloro-5-morpholin-3-ylphenyl)-6-methyl-1,3,5-triazin-2-amine has a molecular weight of 305.77 g/mol, XLogP of 1.74, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chloro-5-morpholin-3-ylphenyl)-6-methyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 177307063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).