4-chloro-6-morpholin-4-yl-N-naphthalen-1-yl-1,3,5-triazin-2-amine

C17H16ClN5O — CID 699792

IUPAC4-chloro-6-morpholin-4-yl-N-naphthalen-1-yl-1,3,5-triazin-2-amine
SMILESClc1nc(Nc2cccc3ccccc23)nc(N2CCOCC2)n1
InChIInChI=1S/C17H16ClN5O/c18-15-20-16(22-17(21-15)23-8-10-24-11-9-23)19-14-7-3-5-12-4-1-2-6-13(12)14/h1-7H,8-11H2,(H,19,20,21,22)
InChIKeyUUUIUWSZWBZFHL-UHFFFAOYSA-N
MW341.80 g/mol
LogP3.26
Rot. Bonds3

About 4-chloro-6-morpholin-4-yl-N-naphthalen-1-yl-1,3,5-triazin-2-amine

4-chloro-6-morpholin-4-yl-N-naphthalen-1-yl-1,3,5-triazin-2-amine (PubChem CID 699792) has the molecular formula C17H16ClN5O and a molecular weight of 341.80 g/mol. Its IUPAC name is 4-chloro-6-morpholin-4-yl-N-naphthalen-1-yl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-6-morpholin-4-yl-N-naphthalen-1-yl-1,3,5-triazin-2-amine
PubChem CID699792
Molecular FormulaC17H16ClN5O
Molecular Weight341.80 g/mol
Exact Mass341.10
IUPAC Name4-chloro-6-morpholin-4-yl-N-naphthalen-1-yl-1,3,5-triazin-2-amine
SMILESClc1nc(Nc2cccc3ccccc23)nc(N2CCOCC2)n1
InChIInChI=1S/C17H16ClN5O/c18-15-20-16(22-17(21-15)23-8-10-24-11-9-23)19-14-7-3-5-12-4-1-2-6-13(12)14/h1-7H,8-11H2,(H,19,20,21,22)
InChIKeyUUUIUWSZWBZFHL-UHFFFAOYSA-N
XLogP3.26
TPSA63.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.80
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1,3,5-Triazine-2,4-diamine, 6-(4-morpholinyl)-n2,n4-diphenyl-
CID 780750
(4,6-Di-morpholin-4-yl-[1,3,5]triazin-2-yl)-m-tolyl-amine
CID 1117926
4,6-Dichloro-N-1-naphthalenyl-1,3,5-triazin-2-amine
CID 35300
(4,6-Di-morpholin-4-yl-[1,3,5]triazin-2-yl)-(3-trifluoromethyl-phenyl)-amine
CID 1089222
N-(4-ethylphenyl)-4,6-dimorpholino-1,3,5-triazin-2-amine hydrochloride
CID 18580226
4-[4-(3,6-dihydro-2H-pyridin-1-yl)-6-(3,4-dihydro-2H-quinolin-1-yl)-1,3,5-triazin-2-yl]morpholine
CID 329175
1-(4,6-Dimethoxy-[1,3,5]triazin-2-yl)-piperidine-4-carboxylic acid naphthalen-1-ylamide
CID 655932
N,N'-bis(3,4-dimethylphenyl)-6-(morpholin-4-yl)-1,3,5-triazine-2,4-diamine
CID 1937524
N-(3,4-dimethylphenyl)-4,6-dimorpholino-1,3,5-triazin-2-amine hydrochloride
CID 18580227
4,6-dimorpholino-N-(o-tolyl)-1,3,5-triazin-2-amine hydrochloride
CID 18580239
6-[[4-(4-Cyanoanilino)-6-(3-morpholin-4-ylpropoxy)-1,3,5-triazin-2-yl]amino]naphthalene-2-carbonitrile
CID 122191796
6-[[4-(4-Cyanoanilino)-6-(3-morpholin-4-ylpropoxy)-1,3,5-triazin-2-yl]amino]-5-methylnaphthalene-2-carbonitrile
CID 122191797

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-morpholin-4-yl-N-naphthalen-1-yl-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-6-morpholin-4-yl-N-naphthalen-1-yl-1,3,5-triazin-2-amine (CID 699792) is 4-chloro-6-morpholin-4-yl-N-naphthalen-1-yl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-6-morpholin-4-yl-N-naphthalen-1-yl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-6-morpholin-4-yl-N-naphthalen-1-yl-1,3,5-triazin-2-amine is Clc1nc(Nc2cccc3ccccc23)nc(N2CCOCC2)n1.
What is the InChIKey of 4-chloro-6-morpholin-4-yl-N-naphthalen-1-yl-1,3,5-triazin-2-amine?
The InChIKey is UUUIUWSZWBZFHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN5O/c18-15-20-16(22-17(21-15)23-8-10-24-11-9-23)19-14-7-3-5-12-4-1-2-6-13(12)14/h1-7H,8-11H2,(H,19,20,21,22).
What are the key properties of 4-chloro-6-morpholin-4-yl-N-naphthalen-1-yl-1,3,5-triazin-2-amine?
4-chloro-6-morpholin-4-yl-N-naphthalen-1-yl-1,3,5-triazin-2-amine has a molecular weight of 341.80 g/mol, XLogP of 3.26, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-morpholin-4-yl-N-naphthalen-1-yl-1,3,5-triazin-2-amine is sourced from PubChem (CID 699792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).