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

C9H14ClN5O — CID 80824389

IUPAC4-chloro-6-(2-methyl-1,4-oxazepan-4-yl)-1,3,5-triazin-2-amine
SMILESCC1CN(c2nc(N)nc(Cl)n2)CCCO1
InChIInChI=1S/C9H14ClN5O/c1-6-5-15(3-2-4-16-6)9-13-7(10)12-8(11)14-9/h6H,2-5H2,1H3,(H2,11,12,13,14)
InChIKeyLTXHVCRDPCOWBQ-UHFFFAOYSA-N
MW243.70 g/mol
LogP0.72
Rot. Bonds1

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

4-chloro-6-(2-methyl-1,4-oxazepan-4-yl)-1,3,5-triazin-2-amine (PubChem CID 80824389) has the molecular formula C9H14ClN5O and a molecular weight of 243.70 g/mol. Its IUPAC name is 4-chloro-6-(2-methyl-1,4-oxazepan-4-yl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-6-(2-methyl-1,4-oxazepan-4-yl)-1,3,5-triazin-2-amine
PubChem CID80824389
Molecular FormulaC9H14ClN5O
Molecular Weight243.70 g/mol
Exact Mass243.09
IUPAC Name4-chloro-6-(2-methyl-1,4-oxazepan-4-yl)-1,3,5-triazin-2-amine
SMILESCC1CN(c2nc(N)nc(Cl)n2)CCCO1
InChIInChI=1S/C9H14ClN5O/c1-6-5-15(3-2-4-16-6)9-13-7(10)12-8(11)14-9/h6H,2-5H2,1H3,(H2,11,12,13,14)
InChIKeyLTXHVCRDPCOWBQ-UHFFFAOYSA-N
XLogP0.72
TPSA77.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.70
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-chloro-N,N-dimethyl-6-(2-methyl-1,4-oxazepan-4-yl)-1,3,5-triazin-2-amine
CID 62967640
4-(2-methylmorpholin-4-yl)-6-piperidin-1-yl-1,3,5-triazin-2-amine
CID 80763914
4-(2-methylmorpholin-4-yl)-6-morpholin-4-yl-1,3,5-triazin-2-amine
CID 80764638
6-bromo-2-(2-methyl-1,4-oxazepan-4-yl)pyrimidin-4-amine
CID 116796883
4-(azocan-1-yl)-6-chloro-1,3,5-triazin-2-amine
CID 80764933
4-chloro-N,N-diethyl-6-(2-methylmorpholin-4-yl)-1,3,5-triazin-2-amine
CID 55124481
5-chloro-2-(2-methyl-1,4-oxazepan-4-yl)aniline
CID 62987436
1-(4-amino-6-chloro-1,3,5-triazin-2-yl)-4-methylpiperidin-3-ol
CID 102971210
4-chloro-6-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-1,3,5-triazin-2-amine
CID 81470010
4-(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)-2-methylmorpholine
CID 62870214
4-(5-bromo-2-chloropyrimidin-4-yl)-2-methyl-1,4-oxazepane
CID 79072899
6-(2-methyl-1,4-oxazepan-4-yl)pyridin-2-amine
CID 80653054

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(2-methyl-1,4-oxazepan-4-yl)-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-6-(2-methyl-1,4-oxazepan-4-yl)-1,3,5-triazin-2-amine (CID 80824389) is 4-chloro-6-(2-methyl-1,4-oxazepan-4-yl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-6-(2-methyl-1,4-oxazepan-4-yl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-6-(2-methyl-1,4-oxazepan-4-yl)-1,3,5-triazin-2-amine is CC1CN(c2nc(N)nc(Cl)n2)CCCO1.
What is the InChIKey of 4-chloro-6-(2-methyl-1,4-oxazepan-4-yl)-1,3,5-triazin-2-amine?
The InChIKey is LTXHVCRDPCOWBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14ClN5O/c1-6-5-15(3-2-4-16-6)9-13-7(10)12-8(11)14-9/h6H,2-5H2,1H3,(H2,11,12,13,14).
What are the key properties of 4-chloro-6-(2-methyl-1,4-oxazepan-4-yl)-1,3,5-triazin-2-amine?
4-chloro-6-(2-methyl-1,4-oxazepan-4-yl)-1,3,5-triazin-2-amine has a molecular weight of 243.70 g/mol, XLogP of 0.72, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(2-methyl-1,4-oxazepan-4-yl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 80824389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).