4-chloro-N-methyl-6-piperidin-1-yl-N-propan-2-yl-1,3,5-triazin-2-amine

C12H20ClN5 — CID 62868341

IUPAC4-chloro-N-methyl-6-piperidin-1-yl-N-propan-2-yl-1,3,5-triazin-2-amine
SMILESCC(C)N(C)c1nc(Cl)nc(N2CCCCC2)n1
InChIInChI=1S/C12H20ClN5/c1-9(2)17(3)11-14-10(13)15-12(16-11)18-7-5-4-6-8-18/h9H,4-8H2,1-3H3
InChIKeyZOZHGAMXWWYSRY-UHFFFAOYSA-N
MW269.78 g/mol
LogP2.36
Rot. Bonds3

About 4-chloro-N-methyl-6-piperidin-1-yl-N-propan-2-yl-1,3,5-triazin-2-amine

4-chloro-N-methyl-6-piperidin-1-yl-N-propan-2-yl-1,3,5-triazin-2-amine (PubChem CID 62868341) has the molecular formula C12H20ClN5 and a molecular weight of 269.78 g/mol. Its IUPAC name is 4-chloro-N-methyl-6-piperidin-1-yl-N-propan-2-yl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-N-methyl-6-piperidin-1-yl-N-propan-2-yl-1,3,5-triazin-2-amine
PubChem CID62868341
Molecular FormulaC12H20ClN5
Molecular Weight269.78 g/mol
Exact Mass269.14
IUPAC Name4-chloro-N-methyl-6-piperidin-1-yl-N-propan-2-yl-1,3,5-triazin-2-amine
SMILESCC(C)N(C)c1nc(Cl)nc(N2CCCCC2)n1
InChIInChI=1S/C12H20ClN5/c1-9(2)17(3)11-14-10(13)15-12(16-11)18-7-5-4-6-8-18/h9H,4-8H2,1-3H3
InChIKeyZOZHGAMXWWYSRY-UHFFFAOYSA-N
XLogP2.36
TPSA45.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.78
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-N,N-dimethyl-6-piperidin-1-yl-1,3,5-triazin-2-amine
CID 10681597
2-[(4-chloro-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)-methylamino]ethanol
CID 55124109
1-[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]-1-methylhydrazine
CID 805708
4-chloro-N-(cyclopropylmethyl)-N-methyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
CID 62864587
4-chloro-N-(cyclobutylmethyl)-N-methyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
CID 62865237
6-chloro-2-N-methyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine
CID 80764732
4-(azocan-1-yl)-6-chloro-1,3,5-triazin-2-amine
CID 80764933
N-benzyl-4-chloro-N-methyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
CID 62869660
1-[(4-chloro-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)-methylamino]-3-methoxypropan-2-ol
CID 62863261
4-chloro-N,N-dimethyl-6-thiomorpholin-4-yl-1,3,5-triazin-2-amine
CID 62868516
2-[(4-chloro-6-piperidin-1-yl-1,3,5-triazin-2-yl)-cyclobutylamino]ethanol
CID 102865890
4-chloro-6-(4,4-dimethylazepan-1-yl)-N,N-dimethyl-1,3,5-triazin-2-amine
CID 65282191

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-methyl-6-piperidin-1-yl-N-propan-2-yl-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-N-methyl-6-piperidin-1-yl-N-propan-2-yl-1,3,5-triazin-2-amine (CID 62868341) is 4-chloro-N-methyl-6-piperidin-1-yl-N-propan-2-yl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-N-methyl-6-piperidin-1-yl-N-propan-2-yl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-N-methyl-6-piperidin-1-yl-N-propan-2-yl-1,3,5-triazin-2-amine is CC(C)N(C)c1nc(Cl)nc(N2CCCCC2)n1.
What is the InChIKey of 4-chloro-N-methyl-6-piperidin-1-yl-N-propan-2-yl-1,3,5-triazin-2-amine?
The InChIKey is ZOZHGAMXWWYSRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20ClN5/c1-9(2)17(3)11-14-10(13)15-12(16-11)18-7-5-4-6-8-18/h9H,4-8H2,1-3H3.
What are the key properties of 4-chloro-N-methyl-6-piperidin-1-yl-N-propan-2-yl-1,3,5-triazin-2-amine?
4-chloro-N-methyl-6-piperidin-1-yl-N-propan-2-yl-1,3,5-triazin-2-amine has a molecular weight of 269.78 g/mol, XLogP of 2.36, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-methyl-6-piperidin-1-yl-N-propan-2-yl-1,3,5-triazin-2-amine is sourced from PubChem (CID 62868341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).