6-chloro-4-N-methyl-2-N-(1-piperidin-1-ylpropan-2-yl)-1,3,5-triazine-2,4-diamine

C12H21ClN6 — CID 80801538

IUPAC6-chloro-4-N-methyl-2-N-(1-piperidin-1-ylpropan-2-yl)-1,3,5-triazine-2,4-diamine
SMILESCNc1nc(Cl)nc(NC(C)CN2CCCCC2)n1
InChIInChI=1S/C12H21ClN6/c1-9(8-19-6-4-3-5-7-19)15-12-17-10(13)16-11(14-2)18-12/h9H,3-8H2,1-2H3,(H2,14,15,16,17,18)
InChIKeyJEDPTBKSVQKCBN-UHFFFAOYSA-N
MW284.80 g/mol
LogP1.85
Rot. Bonds5

About 6-chloro-4-N-methyl-2-N-(1-piperidin-1-ylpropan-2-yl)-1,3,5-triazine-2,4-diamine

6-chloro-4-N-methyl-2-N-(1-piperidin-1-ylpropan-2-yl)-1,3,5-triazine-2,4-diamine (PubChem CID 80801538) has the molecular formula C12H21ClN6 and a molecular weight of 284.80 g/mol. Its IUPAC name is 6-chloro-4-N-methyl-2-N-(1-piperidin-1-ylpropan-2-yl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-chloro-4-N-methyl-2-N-(1-piperidin-1-ylpropan-2-yl)-1,3,5-triazine-2,4-diamine
PubChem CID80801538
Molecular FormulaC12H21ClN6
Molecular Weight284.80 g/mol
Exact Mass284.15
IUPAC Name6-chloro-4-N-methyl-2-N-(1-piperidin-1-ylpropan-2-yl)-1,3,5-triazine-2,4-diamine
SMILESCNc1nc(Cl)nc(NC(C)CN2CCCCC2)n1
InChIInChI=1S/C12H21ClN6/c1-9(8-19-6-4-3-5-7-19)15-12-17-10(13)16-11(14-2)18-12/h9H,3-8H2,1-2H3,(H2,14,15,16,17,18)
InChIKeyJEDPTBKSVQKCBN-UHFFFAOYSA-N
XLogP1.85
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 ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 6-chloro-4-N-methyl-2-N-(1-piperidin-1-ylpropan-2-yl)-1,3,5-triazine-2,4-diamine with MolForge

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Related Compounds

6-ethoxy-4-N-methyl-2-N-(1-pyrrolidin-1-ylpropan-2-yl)-1,3,5-triazine-2,4-diamine
CID 80800577
3,6-dichloro-N-(1-piperidin-1-ylpropan-2-yl)-1,2,4-triazin-5-amine
CID 81036944
6-hydrazinyl-4-N,4-N-dimethyl-2-N-(1-pyrrolidin-1-ylpropan-2-yl)-1,3,5-triazine-2,4-diamine
CID 80896860
2-N-methyl-6-N-(1-piperidin-1-ylpropan-2-yl)-7H-purine-2,6-diamine
CID 114784296
4-methoxy-6-methyl-N-(1-piperidin-1-ylpropan-2-yl)pyrimidin-2-amine
CID 112691746
4-chloro-N-(1-piperidin-1-ylpropan-2-yl)-1,3-thiazol-2-amine
CID 83152888
4-chloro-N-(5-methylhexan-2-yl)-6-piperidin-1-yl-1,3,5-triazin-2-amine
CID 63925934
6-methoxy-2-N-(1-pyrrolidin-1-ylpropan-2-yl)-1,3,5-triazine-2,4-diamine
CID 80800739
1-methyl-N-(1-piperidin-1-ylpropan-2-yl)imidazol-2-amine
CID 62133475
2-N-(1-cyclopropylpropan-2-yl)-4-N-methyl-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine
CID 80820229
4-methyl-N-(1-pyrrolidin-1-ylpropan-2-yl)pyrimidin-2-amine
CID 62959456
6-chloro-4,5-dimethyl-N-(1-piperidin-1-ylpropan-2-yl)pyridazin-3-amine
CID 55168144

Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-N-methyl-2-N-(1-piperidin-1-ylpropan-2-yl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-chloro-4-N-methyl-2-N-(1-piperidin-1-ylpropan-2-yl)-1,3,5-triazine-2,4-diamine (CID 80801538) is 6-chloro-4-N-methyl-2-N-(1-piperidin-1-ylpropan-2-yl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-chloro-4-N-methyl-2-N-(1-piperidin-1-ylpropan-2-yl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-chloro-4-N-methyl-2-N-(1-piperidin-1-ylpropan-2-yl)-1,3,5-triazine-2,4-diamine is CNc1nc(Cl)nc(NC(C)CN2CCCCC2)n1.
What is the InChIKey of 6-chloro-4-N-methyl-2-N-(1-piperidin-1-ylpropan-2-yl)-1,3,5-triazine-2,4-diamine?
The InChIKey is JEDPTBKSVQKCBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21ClN6/c1-9(8-19-6-4-3-5-7-19)15-12-17-10(13)16-11(14-2)18-12/h9H,3-8H2,1-2H3,(H2,14,15,16,17,18).
What are the key properties of 6-chloro-4-N-methyl-2-N-(1-piperidin-1-ylpropan-2-yl)-1,3,5-triazine-2,4-diamine?
6-chloro-4-N-methyl-2-N-(1-piperidin-1-ylpropan-2-yl)-1,3,5-triazine-2,4-diamine has a molecular weight of 284.80 g/mol, XLogP of 1.85, 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-methyl-2-N-(1-piperidin-1-ylpropan-2-yl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 80801538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).