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

C12H21ClN6 — CID 80811730

IUPAC6-chloro-4-N-ethyl-2-N-[(1-methylpiperidin-4-yl)methyl]-1,3,5-triazine-2,4-diamine
SMILESCCNc1nc(Cl)nc(NCC2CCN(C)CC2)n1
InChIInChI=1S/C12H21ClN6/c1-3-14-11-16-10(13)17-12(18-11)15-8-9-4-6-19(2)7-5-9/h9H,3-8H2,1-2H3,(H2,14,15,16,17,18)
InChIKeySENSTRABFDEVSS-UHFFFAOYSA-N
MW284.80 g/mol
LogP1.71
Rot. Bonds5

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

6-chloro-4-N-ethyl-2-N-[(1-methylpiperidin-4-yl)methyl]-1,3,5-triazine-2,4-diamine (PubChem CID 80811730) has the molecular formula C12H21ClN6 and a molecular weight of 284.80 g/mol. Its IUPAC name is 6-chloro-4-N-ethyl-2-N-[(1-methylpiperidin-4-yl)methyl]-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-chloro-4-N-ethyl-2-N-[(1-methylpiperidin-4-yl)methyl]-1,3,5-triazine-2,4-diamine
PubChem CID80811730
Molecular FormulaC12H21ClN6
Molecular Weight284.80 g/mol
Exact Mass284.15
IUPAC Name6-chloro-4-N-ethyl-2-N-[(1-methylpiperidin-4-yl)methyl]-1,3,5-triazine-2,4-diamine
SMILESCCNc1nc(Cl)nc(NCC2CCN(C)CC2)n1
InChIInChI=1S/C12H21ClN6/c1-3-14-11-16-10(13)17-12(18-11)15-8-9-4-6-19(2)7-5-9/h9H,3-8H2,1-2H3,(H2,14,15,16,17,18)
InChIKeySENSTRABFDEVSS-UHFFFAOYSA-N
XLogP1.71
TPSA65.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.80
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

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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-[(1-ethylpiperidin-4-yl)methyl]-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 80811735
6-chloro-2-N,4-N-diethyl-1,3,5-triazine-2,4-diamine
CID 19377260
6-chloro-2-N,4-N-diethyl-(1,3,5-15N3)1,3,5-triazine-2,4-diamine
CID 91927796
6-chloro-2-N,4-N-diethyl-1,3,5-triazine-2,4-diamine
CID 5216
6-chloro-2-N-[(1,1-dioxothiolan-2-yl)methyl]-4-N-ethyl-1,3,5-triazine-2,4-diamine
CID 81047139
N-[(1-methylpiperidin-4-yl)methyl]-4,6-bis(methylsulfanyl)-1,3,5-triazin-2-amine
CID 167281211
4-chloro-N-ethyl-6-(4-ethylpiperidin-1-yl)-1,3,5-triazin-2-amine
CID 80796310
4,6-dimethoxy-N-[(1-methylpiperidin-4-yl)methyl]pyrimidin-2-amine
CID 115355062
5-[[[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]amino]methyl]pyrrolidin-2-one
CID 80836534
4-chloro-6-ethoxy-N-[(1-methylpiperidin-3-yl)methyl]-1,3,5-triazin-2-amine
CID 55124369
6-chloro-4-N-[(1-ethylpiperidin-4-yl)methyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 62865016

Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-N-ethyl-2-N-[(1-methylpiperidin-4-yl)methyl]-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-chloro-4-N-ethyl-2-N-[(1-methylpiperidin-4-yl)methyl]-1,3,5-triazine-2,4-diamine (CID 80811730) is 6-chloro-4-N-ethyl-2-N-[(1-methylpiperidin-4-yl)methyl]-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-chloro-4-N-ethyl-2-N-[(1-methylpiperidin-4-yl)methyl]-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-chloro-4-N-ethyl-2-N-[(1-methylpiperidin-4-yl)methyl]-1,3,5-triazine-2,4-diamine is CCNc1nc(Cl)nc(NCC2CCN(C)CC2)n1.
What is the InChIKey of 6-chloro-4-N-ethyl-2-N-[(1-methylpiperidin-4-yl)methyl]-1,3,5-triazine-2,4-diamine?
The InChIKey is SENSTRABFDEVSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21ClN6/c1-3-14-11-16-10(13)17-12(18-11)15-8-9-4-6-19(2)7-5-9/h9H,3-8H2,1-2H3,(H2,14,15,16,17,18).
What are the key properties of 6-chloro-4-N-ethyl-2-N-[(1-methylpiperidin-4-yl)methyl]-1,3,5-triazine-2,4-diamine?
6-chloro-4-N-ethyl-2-N-[(1-methylpiperidin-4-yl)methyl]-1,3,5-triazine-2,4-diamine has a molecular weight of 284.80 g/mol, XLogP of 1.71, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-N-ethyl-2-N-[(1-methylpiperidin-4-yl)methyl]-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 80811730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).