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

C14H24ClN5 — CID 80837933

IUPAC4-(4-tert-butylazepan-1-yl)-6-chloro-N-methyl-1,3,5-triazin-2-amine
SMILESCNc1nc(Cl)nc(N2CCCC(C(C)(C)C)CC2)n1
InChIInChI=1S/C14H24ClN5/c1-14(2,3)10-6-5-8-20(9-7-10)13-18-11(15)17-12(16-4)19-13/h10H,5-9H2,1-4H3,(H,16,17,18,19)
InChIKeyXOEKWTRKOWXBFK-UHFFFAOYSA-N
MW297.83 g/mol
LogP3.22
Rot. Bonds2

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

4-(4-tert-butylazepan-1-yl)-6-chloro-N-methyl-1,3,5-triazin-2-amine (PubChem CID 80837933) has the molecular formula C14H24ClN5 and a molecular weight of 297.83 g/mol. Its IUPAC name is 4-(4-tert-butylazepan-1-yl)-6-chloro-N-methyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-(4-tert-butylazepan-1-yl)-6-chloro-N-methyl-1,3,5-triazin-2-amine
PubChem CID80837933
Molecular FormulaC14H24ClN5
Molecular Weight297.83 g/mol
Exact Mass297.17
IUPAC Name4-(4-tert-butylazepan-1-yl)-6-chloro-N-methyl-1,3,5-triazin-2-amine
SMILESCNc1nc(Cl)nc(N2CCCC(C(C)(C)C)CC2)n1
InChIInChI=1S/C14H24ClN5/c1-14(2,3)10-6-5-8-20(9-7-10)13-18-11(15)17-12(16-4)19-13/h10H,5-9H2,1-4H3,(H,16,17,18,19)
InChIKeyXOEKWTRKOWXBFK-UHFFFAOYSA-N
XLogP3.22
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.83
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-6-[4-[4-chloro-6-(methylamino)-1,3,5-triazin-2-yl]piperazin-1-yl]-N-methyl-1,3,5-triazin-2-amine
CID 20647596
4-chloro-N-ethyl-6-[4-(trifluoromethyl)piperidin-1-yl]-1,3,5-triazin-2-amine
CID 80846867
4-(8-azaspiro[4.5]decan-8-yl)-6-chloro-N-methyl-1,3,5-triazin-2-amine
CID 80831513
4-chloro-N-ethyl-6-(4-ethylazepan-1-yl)-1,3,5-triazin-2-amine
CID 80837274
4-chloro-N-methyl-6-(4-propan-2-ylpiperazin-1-yl)-1,3,5-triazin-2-amine
CID 80793568
1-[4-[4-chloro-6-(methylamino)-1,3,5-triazin-2-yl]-1,4-diazepan-1-yl]ethanone
CID 80820474
1-[4-chloro-6-(methylamino)-1,3,5-triazin-2-yl]-4-methylpiperidin-4-ol
CID 81107824
N-[[1-[4-chloro-6-(methylamino)-1,3,5-triazin-2-yl]piperidin-4-yl]methyl]acetamide
CID 102737118
4-chloro-6-(2-ethylpyrrolidin-1-yl)-N-methyl-1,3,5-triazin-2-amine
CID 80797655
1-[4-(methylamino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]piperidin-4-ol
CID 80749464
4-chloro-N-cyclopropyl-6-piperidin-1-yl-1,3,5-triazin-2-amine
CID 62869030
4-chloro-N-(2-methylbut-3-yn-2-yl)-6-piperidin-1-yl-1,3,5-triazin-2-amine
CID 114156702

Frequently Asked Questions

What is the IUPAC name of 4-(4-tert-butylazepan-1-yl)-6-chloro-N-methyl-1,3,5-triazin-2-amine?
The IUPAC name of 4-(4-tert-butylazepan-1-yl)-6-chloro-N-methyl-1,3,5-triazin-2-amine (CID 80837933) is 4-(4-tert-butylazepan-1-yl)-6-chloro-N-methyl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-(4-tert-butylazepan-1-yl)-6-chloro-N-methyl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-(4-tert-butylazepan-1-yl)-6-chloro-N-methyl-1,3,5-triazin-2-amine is CNc1nc(Cl)nc(N2CCCC(C(C)(C)C)CC2)n1.
What is the InChIKey of 4-(4-tert-butylazepan-1-yl)-6-chloro-N-methyl-1,3,5-triazin-2-amine?
The InChIKey is XOEKWTRKOWXBFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24ClN5/c1-14(2,3)10-6-5-8-20(9-7-10)13-18-11(15)17-12(16-4)19-13/h10H,5-9H2,1-4H3,(H,16,17,18,19).
What are the key properties of 4-(4-tert-butylazepan-1-yl)-6-chloro-N-methyl-1,3,5-triazin-2-amine?
4-(4-tert-butylazepan-1-yl)-6-chloro-N-methyl-1,3,5-triazin-2-amine has a molecular weight of 297.83 g/mol, XLogP of 3.22, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-tert-butylazepan-1-yl)-6-chloro-N-methyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 80837933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).