6-chloro-2-N-[2-(1-methylpiperidin-4-yl)ethyl]-1,3,5-triazine-2,4-diamine

C11H19ClN6 — CID 114516972

IUPAC6-chloro-2-N-[2-(1-methylpiperidin-4-yl)ethyl]-1,3,5-triazine-2,4-diamine
SMILESCN1CCC(CCNc2nc(N)nc(Cl)n2)CC1
InChIInChI=1S/C11H19ClN6/c1-18-6-3-8(4-7-18)2-5-14-11-16-9(12)15-10(13)17-11/h8H,2-7H2,1H3,(H3,13,14,15,16,17)
InChIKeyXXFARIQWLQMAFI-UHFFFAOYSA-N
MW270.77 g/mol
LogP1.25
Rot. Bonds4

About 6-chloro-2-N-[2-(1-methylpiperidin-4-yl)ethyl]-1,3,5-triazine-2,4-diamine

6-chloro-2-N-[2-(1-methylpiperidin-4-yl)ethyl]-1,3,5-triazine-2,4-diamine (PubChem CID 114516972) has the molecular formula C11H19ClN6 and a molecular weight of 270.77 g/mol. Its IUPAC name is 6-chloro-2-N-[2-(1-methylpiperidin-4-yl)ethyl]-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-chloro-2-N-[2-(1-methylpiperidin-4-yl)ethyl]-1,3,5-triazine-2,4-diamine
PubChem CID114516972
Molecular FormulaC11H19ClN6
Molecular Weight270.77 g/mol
Exact Mass270.14
IUPAC Name6-chloro-2-N-[2-(1-methylpiperidin-4-yl)ethyl]-1,3,5-triazine-2,4-diamine
SMILESCN1CCC(CCNc2nc(N)nc(Cl)n2)CC1
InChIInChI=1S/C11H19ClN6/c1-18-6-3-8(4-7-18)2-5-14-11-16-9(12)15-10(13)17-11/h8H,2-7H2,1H3,(H3,13,14,15,16,17)
InChIKeyXXFARIQWLQMAFI-UHFFFAOYSA-N
XLogP1.25
TPSA79.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.77
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-chloro-2-N-[(1-methylpyrrolidin-3-yl)methyl]-1,3,5-triazine-2,4-diamine
CID 80790390
6-chloro-2-N-(2-cyclopropylethyl)-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 80847833
4-N-[2-(1-methylpiperidin-4-yl)ethyl]-6-N-propylpyrimidine-2,4,6-triamine
CID 114516943
6-chloro-4-N-ethyl-2-N-[(1-methylpiperidin-4-yl)methyl]-1,3,5-triazine-2,4-diamine
CID 80811730
3-chloro-N-[2-(1-methylpiperidin-4-yl)ethyl]pyrazin-2-amine
CID 114516461
4,5-dichloro-2-N-[2-(1-methylpiperidin-4-yl)ethyl]benzene-1,2-diamine
CID 114514955
5-chloro-4-N-[2-(1-methylpiperidin-4-yl)ethyl]pyrimidine-4,6-diamine
CID 114049894
6-chloro-2-N-(2-cyclopentyloxyethyl)-1,3,5-triazine-2,4-diamine
CID 80846277
5-chloro-N-[2-(1-methylpiperidin-4-yl)ethyl]pyridin-2-amine
CID 114515987
4-chloro-N-[2-(1-methylpiperidin-4-yl)ethyl]-1,3-thiazol-2-amine
CID 114516015
6-chloro-2-N-[2-(dimethylamino)ethyl]-1,3,5-triazine-2,4-diamine
CID 80770653
6-chloro-2-N-(3-ethoxypropyl)-1,3,5-triazine-2,4-diamine
CID 80772319

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-N-[2-(1-methylpiperidin-4-yl)ethyl]-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-chloro-2-N-[2-(1-methylpiperidin-4-yl)ethyl]-1,3,5-triazine-2,4-diamine (CID 114516972) is 6-chloro-2-N-[2-(1-methylpiperidin-4-yl)ethyl]-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-chloro-2-N-[2-(1-methylpiperidin-4-yl)ethyl]-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-chloro-2-N-[2-(1-methylpiperidin-4-yl)ethyl]-1,3,5-triazine-2,4-diamine is CN1CCC(CCNc2nc(N)nc(Cl)n2)CC1.
What is the InChIKey of 6-chloro-2-N-[2-(1-methylpiperidin-4-yl)ethyl]-1,3,5-triazine-2,4-diamine?
The InChIKey is XXFARIQWLQMAFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19ClN6/c1-18-6-3-8(4-7-18)2-5-14-11-16-9(12)15-10(13)17-11/h8H,2-7H2,1H3,(H3,13,14,15,16,17).
What are the key properties of 6-chloro-2-N-[2-(1-methylpiperidin-4-yl)ethyl]-1,3,5-triazine-2,4-diamine?
6-chloro-2-N-[2-(1-methylpiperidin-4-yl)ethyl]-1,3,5-triazine-2,4-diamine has a molecular weight of 270.77 g/mol, XLogP of 1.25, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-N-[2-(1-methylpiperidin-4-yl)ethyl]-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 114516972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).