4-chloro-N,N-dimethyl-6-(2-methyl-1,4-oxazepan-4-yl)-1,3,5-triazin-2-amine

C11H18ClN5O — CID 62967640

IUPAC4-chloro-N,N-dimethyl-6-(2-methyl-1,4-oxazepan-4-yl)-1,3,5-triazin-2-amine
SMILESCC1CN(c2nc(Cl)nc(N(C)C)n2)CCCO1
InChIInChI=1S/C11H18ClN5O/c1-8-7-17(5-4-6-18-8)11-14-9(12)13-10(15-11)16(2)3/h8H,4-7H2,1-3H3
InChIKeyVJKWBUGGNKYDAM-UHFFFAOYSA-N
MW271.75 g/mol
LogP1.21
Rot. Bonds2

About 4-chloro-N,N-dimethyl-6-(2-methyl-1,4-oxazepan-4-yl)-1,3,5-triazin-2-amine

4-chloro-N,N-dimethyl-6-(2-methyl-1,4-oxazepan-4-yl)-1,3,5-triazin-2-amine (PubChem CID 62967640) has the molecular formula C11H18ClN5O and a molecular weight of 271.75 g/mol. Its IUPAC name is 4-chloro-N,N-dimethyl-6-(2-methyl-1,4-oxazepan-4-yl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-N,N-dimethyl-6-(2-methyl-1,4-oxazepan-4-yl)-1,3,5-triazin-2-amine
PubChem CID62967640
Molecular FormulaC11H18ClN5O
Molecular Weight271.75 g/mol
Exact Mass271.12
IUPAC Name4-chloro-N,N-dimethyl-6-(2-methyl-1,4-oxazepan-4-yl)-1,3,5-triazin-2-amine
SMILESCC1CN(c2nc(Cl)nc(N(C)C)n2)CCCO1
InChIInChI=1S/C11H18ClN5O/c1-8-7-17(5-4-6-18-8)11-14-9(12)13-10(15-11)16(2)3/h8H,4-7H2,1-3H3
InChIKeyVJKWBUGGNKYDAM-UHFFFAOYSA-N
XLogP1.21
TPSA54.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.75
LogP ≤ 51.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-chloro-N,N-dimethyl-6-(2-methyl-1,4-oxazepan-4-yl)-1,3,5-triazin-2-amine with MolForge

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Related Compounds

4-chloro-6-(2-methyl-1,4-oxazepan-4-yl)-1,3,5-triazin-2-amine
CID 80824389
4-chloro-N,N-dimethyl-6-piperidin-1-yl-1,3,5-triazin-2-amine
CID 10681597
4-chloro-N,N-diethyl-6-(2-methylmorpholin-4-yl)-1,3,5-triazin-2-amine
CID 55124481
4-chloro-N,N-dimethyl-6-(3-morpholin-4-ylpyrrolidin-1-yl)-1,3,5-triazin-2-amine
CID 63171342
4-chloro-6-(4,4-dimethylazepan-1-yl)-N,N-dimethyl-1,3,5-triazin-2-amine
CID 65282191
4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-6-chloro-N,N-dimethyl-1,3,5-triazin-2-amine
CID 79943695
4-chloro-N,N-dimethyl-6-(3-piperidin-1-ylpyrrolidin-1-yl)-1,3,5-triazin-2-amine
CID 63171122
6-bromo-2-(2-methyl-1,4-oxazepan-4-yl)pyrimidin-4-amine
CID 116796883
4-chloro-N,N-dimethyl-6-thiomorpholin-4-yl-1,3,5-triazin-2-amine
CID 62868516
4-chloro-N,N-dimethyl-6-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)-1,3,5-triazin-2-amine
CID 81200217
4-chloro-6-(4,4-diethylpiperidin-1-yl)-N,N-dimethyl-1,3,5-triazin-2-amine
CID 63161811
4-(2-methylmorpholin-4-yl)-6-piperidin-1-yl-1,3,5-triazin-2-amine
CID 80763914

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N,N-dimethyl-6-(2-methyl-1,4-oxazepan-4-yl)-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-N,N-dimethyl-6-(2-methyl-1,4-oxazepan-4-yl)-1,3,5-triazin-2-amine (CID 62967640) is 4-chloro-N,N-dimethyl-6-(2-methyl-1,4-oxazepan-4-yl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-N,N-dimethyl-6-(2-methyl-1,4-oxazepan-4-yl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-N,N-dimethyl-6-(2-methyl-1,4-oxazepan-4-yl)-1,3,5-triazin-2-amine is CC1CN(c2nc(Cl)nc(N(C)C)n2)CCCO1.
What is the InChIKey of 4-chloro-N,N-dimethyl-6-(2-methyl-1,4-oxazepan-4-yl)-1,3,5-triazin-2-amine?
The InChIKey is VJKWBUGGNKYDAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18ClN5O/c1-8-7-17(5-4-6-18-8)11-14-9(12)13-10(15-11)16(2)3/h8H,4-7H2,1-3H3.
What are the key properties of 4-chloro-N,N-dimethyl-6-(2-methyl-1,4-oxazepan-4-yl)-1,3,5-triazin-2-amine?
4-chloro-N,N-dimethyl-6-(2-methyl-1,4-oxazepan-4-yl)-1,3,5-triazin-2-amine has a molecular weight of 271.75 g/mol, XLogP of 1.21, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N,N-dimethyl-6-(2-methyl-1,4-oxazepan-4-yl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 62967640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).