4-chloro-N-methyl-6-propan-2-yloxy-N-(pyridin-2-ylmethyl)-1,3,5-triazin-2-amine

C13H16ClN5O — CID 62865087

IUPAC4-chloro-N-methyl-6-propan-2-yloxy-N-(pyridin-2-ylmethyl)-1,3,5-triazin-2-amine
SMILESCC(C)Oc1nc(Cl)nc(N(C)Cc2ccccn2)n1
InChIInChI=1S/C13H16ClN5O/c1-9(2)20-13-17-11(14)16-12(18-13)19(3)8-10-6-4-5-7-15-10/h4-7,9H,8H2,1-3H3
InChIKeySWASHRCOOAFWTB-UHFFFAOYSA-N
MW293.76 g/mol
LogP2.34
Rot. Bonds5

About 4-chloro-N-methyl-6-propan-2-yloxy-N-(pyridin-2-ylmethyl)-1,3,5-triazin-2-amine

4-chloro-N-methyl-6-propan-2-yloxy-N-(pyridin-2-ylmethyl)-1,3,5-triazin-2-amine (PubChem CID 62865087) has the molecular formula C13H16ClN5O and a molecular weight of 293.76 g/mol. Its IUPAC name is 4-chloro-N-methyl-6-propan-2-yloxy-N-(pyridin-2-ylmethyl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-N-methyl-6-propan-2-yloxy-N-(pyridin-2-ylmethyl)-1,3,5-triazin-2-amine
PubChem CID62865087
Molecular FormulaC13H16ClN5O
Molecular Weight293.76 g/mol
Exact Mass293.10
IUPAC Name4-chloro-N-methyl-6-propan-2-yloxy-N-(pyridin-2-ylmethyl)-1,3,5-triazin-2-amine
SMILESCC(C)Oc1nc(Cl)nc(N(C)Cc2ccccn2)n1
InChIInChI=1S/C13H16ClN5O/c1-9(2)20-13-17-11(14)16-12(18-13)19(3)8-10-6-4-5-7-15-10/h4-7,9H,8H2,1-3H3
InChIKeySWASHRCOOAFWTB-UHFFFAOYSA-N
XLogP2.34
TPSA64.03 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.76
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-chloro-N-methyl-6-propan-2-yloxy-N-(pyridin-2-ylmethyl)-1,3,5-triazin-2-amine with MolForge

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Related Compounds

4-hydrazinyl-N-methyl-6-propan-2-yloxy-N-(pyridin-2-ylmethyl)-1,3,5-triazin-2-amine
CID 80898355
6-chloro-2-N-methyl-4-N-propyl-2-N-(pyridin-2-ylmethyl)-1,3,5-triazine-2,4-diamine
CID 80786890
N,5-dimethyl-N-(pyridin-2-ylmethyl)pyrimidin-2-amine
CID 171328176
6-chloro-2-ethyl-N,5-dimethyl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine
CID 80971281
5-fluoro-N-methyl-N-(pyridin-2-ylmethyl)pyrimidin-2-amine
CID 171328236
3-chloro-N-methyl-N-(pyridin-2-ylmethyl)pyridin-2-amine
CID 75515545
4-(chloromethyl)-N-methyl-2-propan-2-yl-N-(pyridin-2-ylmethyl)pyrimidin-5-amine
CID 62087271
2-chloro-N-methyl-N-(pyridin-2-ylmethyl)-7H-purin-6-amine
CID 113453067
4-chloro-N-methyl-N-[(2-methylphenyl)methyl]-6-propoxy-1,3,5-triazin-2-amine
CID 62864242
2-N,6-N-dimethyl-2-N,6-N-bis(pyridin-2-ylmethyl)pyrazine-2,6-diamine
CID 100671089
4-hydrazinyl-6-propan-2-yloxy-N-(pyridin-2-ylmethyl)-1,3,5-triazin-2-amine
CID 80943161
ethane;N-methyl-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine
CID 145471467

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-methyl-6-propan-2-yloxy-N-(pyridin-2-ylmethyl)-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-N-methyl-6-propan-2-yloxy-N-(pyridin-2-ylmethyl)-1,3,5-triazin-2-amine (CID 62865087) is 4-chloro-N-methyl-6-propan-2-yloxy-N-(pyridin-2-ylmethyl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-N-methyl-6-propan-2-yloxy-N-(pyridin-2-ylmethyl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-N-methyl-6-propan-2-yloxy-N-(pyridin-2-ylmethyl)-1,3,5-triazin-2-amine is CC(C)Oc1nc(Cl)nc(N(C)Cc2ccccn2)n1.
What is the InChIKey of 4-chloro-N-methyl-6-propan-2-yloxy-N-(pyridin-2-ylmethyl)-1,3,5-triazin-2-amine?
The InChIKey is SWASHRCOOAFWTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN5O/c1-9(2)20-13-17-11(14)16-12(18-13)19(3)8-10-6-4-5-7-15-10/h4-7,9H,8H2,1-3H3.
What are the key properties of 4-chloro-N-methyl-6-propan-2-yloxy-N-(pyridin-2-ylmethyl)-1,3,5-triazin-2-amine?
4-chloro-N-methyl-6-propan-2-yloxy-N-(pyridin-2-ylmethyl)-1,3,5-triazin-2-amine has a molecular weight of 293.76 g/mol, XLogP of 2.34, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-methyl-6-propan-2-yloxy-N-(pyridin-2-ylmethyl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 62865087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).