4-chloro-N-methyl-N-[(2-methylcyclopropyl)methyl]-6-morpholin-4-yl-1,3,5-triazin-2-amine

C13H20ClN5O — CID 63861000

IUPAC4-chloro-N-methyl-N-[(2-methylcyclopropyl)methyl]-6-morpholin-4-yl-1,3,5-triazin-2-amine
SMILESCC1CC1CN(C)c1nc(Cl)nc(N2CCOCC2)n1
InChIInChI=1S/C13H20ClN5O/c1-9-7-10(9)8-18(2)12-15-11(14)16-13(17-12)19-3-5-20-6-4-19/h9-10H,3-8H2,1-2H3
InChIKeyMJNUCGNLOKWCLN-UHFFFAOYSA-N
MW297.79 g/mol
LogP1.45
Rot. Bonds4

About 4-chloro-N-methyl-N-[(2-methylcyclopropyl)methyl]-6-morpholin-4-yl-1,3,5-triazin-2-amine

4-chloro-N-methyl-N-[(2-methylcyclopropyl)methyl]-6-morpholin-4-yl-1,3,5-triazin-2-amine (PubChem CID 63861000) has the molecular formula C13H20ClN5O and a molecular weight of 297.79 g/mol. Its IUPAC name is 4-chloro-N-methyl-N-[(2-methylcyclopropyl)methyl]-6-morpholin-4-yl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-N-methyl-N-[(2-methylcyclopropyl)methyl]-6-morpholin-4-yl-1,3,5-triazin-2-amine
PubChem CID63861000
Molecular FormulaC13H20ClN5O
Molecular Weight297.79 g/mol
Exact Mass297.14
IUPAC Name4-chloro-N-methyl-N-[(2-methylcyclopropyl)methyl]-6-morpholin-4-yl-1,3,5-triazin-2-amine
SMILESCC1CC1CN(C)c1nc(Cl)nc(N2CCOCC2)n1
InChIInChI=1S/C13H20ClN5O/c1-9-7-10(9)8-18(2)12-15-11(14)16-13(17-12)19-3-5-20-6-4-19/h9-10H,3-8H2,1-2H3
InChIKeyMJNUCGNLOKWCLN-UHFFFAOYSA-N
XLogP1.45
TPSA54.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.79
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-methyl-N-[(2-methylcyclopropyl)methyl]-6-morpholin-4-yl-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-N-methyl-N-[(2-methylcyclopropyl)methyl]-6-morpholin-4-yl-1,3,5-triazin-2-amine (CID 63861000) is 4-chloro-N-methyl-N-[(2-methylcyclopropyl)methyl]-6-morpholin-4-yl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-N-methyl-N-[(2-methylcyclopropyl)methyl]-6-morpholin-4-yl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-N-methyl-N-[(2-methylcyclopropyl)methyl]-6-morpholin-4-yl-1,3,5-triazin-2-amine is CC1CC1CN(C)c1nc(Cl)nc(N2CCOCC2)n1.
What is the InChIKey of 4-chloro-N-methyl-N-[(2-methylcyclopropyl)methyl]-6-morpholin-4-yl-1,3,5-triazin-2-amine?
The InChIKey is MJNUCGNLOKWCLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClN5O/c1-9-7-10(9)8-18(2)12-15-11(14)16-13(17-12)19-3-5-20-6-4-19/h9-10H,3-8H2,1-2H3.
What are the key properties of 4-chloro-N-methyl-N-[(2-methylcyclopropyl)methyl]-6-morpholin-4-yl-1,3,5-triazin-2-amine?
4-chloro-N-methyl-N-[(2-methylcyclopropyl)methyl]-6-morpholin-4-yl-1,3,5-triazin-2-amine has a molecular weight of 297.79 g/mol, XLogP of 1.45, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-methyl-N-[(2-methylcyclopropyl)methyl]-6-morpholin-4-yl-1,3,5-triazin-2-amine is sourced from PubChem (CID 63861000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).