4-chloro-N-ethyl-6-(4-ethylazepan-1-yl)-1,3,5-triazin-2-amine

C13H22ClN5 — CID 80837274

IUPAC4-chloro-N-ethyl-6-(4-ethylazepan-1-yl)-1,3,5-triazin-2-amine
SMILESCCNc1nc(Cl)nc(N2CCCC(CC)CC2)n1
InChIInChI=1S/C13H22ClN5/c1-3-10-6-5-8-19(9-7-10)13-17-11(14)16-12(18-13)15-4-2/h10H,3-9H2,1-2H3,(H,15,16,17,18)
InChIKeyFWGFCGBIFGHPCJ-UHFFFAOYSA-N
MW283.81 g/mol
LogP2.97
Rot. Bonds4

About 4-chloro-N-ethyl-6-(4-ethylazepan-1-yl)-1,3,5-triazin-2-amine

4-chloro-N-ethyl-6-(4-ethylazepan-1-yl)-1,3,5-triazin-2-amine (PubChem CID 80837274) has the molecular formula C13H22ClN5 and a molecular weight of 283.81 g/mol. Its IUPAC name is 4-chloro-N-ethyl-6-(4-ethylazepan-1-yl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-N-ethyl-6-(4-ethylazepan-1-yl)-1,3,5-triazin-2-amine
PubChem CID80837274
Molecular FormulaC13H22ClN5
Molecular Weight283.81 g/mol
Exact Mass283.16
IUPAC Name4-chloro-N-ethyl-6-(4-ethylazepan-1-yl)-1,3,5-triazin-2-amine
SMILESCCNc1nc(Cl)nc(N2CCCC(CC)CC2)n1
InChIInChI=1S/C13H22ClN5/c1-3-10-6-5-8-19(9-7-10)13-17-11(14)16-12(18-13)15-4-2/h10H,3-9H2,1-2H3,(H,15,16,17,18)
InChIKeyFWGFCGBIFGHPCJ-UHFFFAOYSA-N
XLogP2.97
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.81
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-N-ethyl-6-(4-ethylpiperidin-1-yl)-1,3,5-triazin-2-amine
CID 80796310
4-chloro-N-ethyl-6-(4-propan-2-ylpiperidin-1-yl)-1,3,5-triazin-2-amine
CID 103504632
4-chloro-N-ethyl-6-[4-(trifluoromethyl)piperidin-1-yl]-1,3,5-triazin-2-amine
CID 80846867
1-[4-[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]piperazin-1-yl]ethanone
CID 80767278
2-N-(cyclopentylmethyl)-4-N-ethyl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
CID 80772042
1-[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]-4-methylpiperidin-4-ol
CID 81108688
N-ethyl-4-(2-ethylpyrrolidin-1-yl)-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
CID 80774727
4-[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]-1-methyl-1,4-diazepan-2-one
CID 102887796
2-chloro-4-(4-propylpiperidin-1-yl)-6-pyrrolidin-1-yl-1,3,5-triazine
CID 62864514
N-ethyl-4-(3-methylpyrrolidin-1-yl)-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
CID 80797845
4-(4-tert-butylazepan-1-yl)-6-chloro-N-methyl-1,3,5-triazin-2-amine
CID 80837933
4-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-6-chloro-N-ethyl-1,3,5-triazin-2-amine
CID 82752307

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-ethyl-6-(4-ethylazepan-1-yl)-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-N-ethyl-6-(4-ethylazepan-1-yl)-1,3,5-triazin-2-amine (CID 80837274) is 4-chloro-N-ethyl-6-(4-ethylazepan-1-yl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-N-ethyl-6-(4-ethylazepan-1-yl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-N-ethyl-6-(4-ethylazepan-1-yl)-1,3,5-triazin-2-amine is CCNc1nc(Cl)nc(N2CCCC(CC)CC2)n1.
What is the InChIKey of 4-chloro-N-ethyl-6-(4-ethylazepan-1-yl)-1,3,5-triazin-2-amine?
The InChIKey is FWGFCGBIFGHPCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22ClN5/c1-3-10-6-5-8-19(9-7-10)13-17-11(14)16-12(18-13)15-4-2/h10H,3-9H2,1-2H3,(H,15,16,17,18).
What are the key properties of 4-chloro-N-ethyl-6-(4-ethylazepan-1-yl)-1,3,5-triazin-2-amine?
4-chloro-N-ethyl-6-(4-ethylazepan-1-yl)-1,3,5-triazin-2-amine has a molecular weight of 283.81 g/mol, XLogP of 2.97, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-ethyl-6-(4-ethylazepan-1-yl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 80837274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).