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

C13H15ClN6O — CID 684642

IUPAC4-chloro-6-morpholin-4-yl-N-(pyridin-3-ylmethyl)-1,3,5-triazin-2-amine
SMILESClc1nc(NCc2cccnc2)nc(N2CCOCC2)n1
InChIInChI=1S/C13H15ClN6O/c14-11-17-12(16-9-10-2-1-3-15-8-10)19-13(18-11)20-4-6-21-7-5-20/h1-3,8H,4-7,9H2,(H,16,17,18,19)
InChIKeyWVDWAUQJCZPMIM-UHFFFAOYSA-N
MW306.76 g/mol
LogP1.37
Rot. Bonds4

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

4-chloro-6-morpholin-4-yl-N-(pyridin-3-ylmethyl)-1,3,5-triazin-2-amine (PubChem CID 684642) has the molecular formula C13H15ClN6O and a molecular weight of 306.76 g/mol. Its IUPAC name is 4-chloro-6-morpholin-4-yl-N-(pyridin-3-ylmethyl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-6-morpholin-4-yl-N-(pyridin-3-ylmethyl)-1,3,5-triazin-2-amine
PubChem CID684642
Molecular FormulaC13H15ClN6O
Molecular Weight306.76 g/mol
Exact Mass306.10
IUPAC Name4-chloro-6-morpholin-4-yl-N-(pyridin-3-ylmethyl)-1,3,5-triazin-2-amine
SMILESClc1nc(NCc2cccnc2)nc(N2CCOCC2)n1
InChIInChI=1S/C13H15ClN6O/c14-11-17-12(16-9-10-2-1-3-15-8-10)19-13(18-11)20-4-6-21-7-5-20/h1-3,8H,4-7,9H2,(H,16,17,18,19)
InChIKeyWVDWAUQJCZPMIM-UHFFFAOYSA-N
XLogP1.37
TPSA76.06 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.76
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-chloro-6-morpholin-4-yl-N-(pyridin-3-ylmethyl)-1,3,5-triazin-2-amine with MolForge

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Related Compounds

Bimiralisib
CID 58507717
5-(2-Morpholinopyrimidin-4-yl)pyrimidin-2-amine
CID 53326637
s-Triazine, 2-amino-4-piperidino-6-(3-pyridyl)-
CID 207459
6-{2-[6-(Morpholin-4-yl)pyridin-3-yl]ethynyl}pyrimidin-4-amine
CID 23646789
N-benzyl-2-morpholinopyrimidin-4-amine
CID 46891015
1,3,5-Triazine-2,4-diamine, N,N-dimethyl-6-(3-pyridinyl)-
CID 740942
Nicotinaldehyde (4,6-di-4-morpholinyl-1,3,5-triazin-2-yl)hydrazone
CID 9585790
5-(4,6-Dimorpholino-1,3,5-triazin-2-yl)pyridin-2-amine
CID 46202650
5-(2-morpholino-6-(tetrahydro-2H-pyran-4-ylamino)pyrimidin-4-yl)pyrimidin-2-amine
CID 53318782
5-(4,6-Dimorpholin-4-yl-1,3,5-triazin-2-yl)-4-methylpyridin-2-amine
CID 58508310
5-(2,6-Dimorpholinopyrimidin-4-yl)pyrimidin-2-amine
CID 59507937
5-(4,6-Dimorpholin-4-yl-1,3,5-triazin-2-yl)-3-(trifluoromethyl)pyridin-2-amine
CID 118470918

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-morpholin-4-yl-N-(pyridin-3-ylmethyl)-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-6-morpholin-4-yl-N-(pyridin-3-ylmethyl)-1,3,5-triazin-2-amine (CID 684642) is 4-chloro-6-morpholin-4-yl-N-(pyridin-3-ylmethyl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-6-morpholin-4-yl-N-(pyridin-3-ylmethyl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-6-morpholin-4-yl-N-(pyridin-3-ylmethyl)-1,3,5-triazin-2-amine is Clc1nc(NCc2cccnc2)nc(N2CCOCC2)n1.
What is the InChIKey of 4-chloro-6-morpholin-4-yl-N-(pyridin-3-ylmethyl)-1,3,5-triazin-2-amine?
The InChIKey is WVDWAUQJCZPMIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN6O/c14-11-17-12(16-9-10-2-1-3-15-8-10)19-13(18-11)20-4-6-21-7-5-20/h1-3,8H,4-7,9H2,(H,16,17,18,19).
What are the key properties of 4-chloro-6-morpholin-4-yl-N-(pyridin-3-ylmethyl)-1,3,5-triazin-2-amine?
4-chloro-6-morpholin-4-yl-N-(pyridin-3-ylmethyl)-1,3,5-triazin-2-amine has a molecular weight of 306.76 g/mol, XLogP of 1.37, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-morpholin-4-yl-N-(pyridin-3-ylmethyl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 684642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).