4-chloro-6-methoxy-N-[3-(2-methylpiperidin-1-yl)propyl]-1,3,5-triazin-2-amine

C13H22ClN5O — CID 62857307

IUPAC4-chloro-6-methoxy-N-[3-(2-methylpiperidin-1-yl)propyl]-1,3,5-triazin-2-amine
SMILESCOc1nc(Cl)nc(NCCCN2CCCCC2C)n1
InChIInChI=1S/C13H22ClN5O/c1-10-6-3-4-8-19(10)9-5-7-15-12-16-11(14)17-13(18-12)20-2/h10H,3-9H2,1-2H3,(H,15,16,17,18)
InChIKeyAJMTXQAPTYTCDZ-UHFFFAOYSA-N
MW299.81 g/mol
LogP2.21
Rot. Bonds6

About 4-chloro-6-methoxy-N-[3-(2-methylpiperidin-1-yl)propyl]-1,3,5-triazin-2-amine

4-chloro-6-methoxy-N-[3-(2-methylpiperidin-1-yl)propyl]-1,3,5-triazin-2-amine (PubChem CID 62857307) has the molecular formula C13H22ClN5O and a molecular weight of 299.81 g/mol. Its IUPAC name is 4-chloro-6-methoxy-N-[3-(2-methylpiperidin-1-yl)propyl]-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-6-methoxy-N-[3-(2-methylpiperidin-1-yl)propyl]-1,3,5-triazin-2-amine
PubChem CID62857307
Molecular FormulaC13H22ClN5O
Molecular Weight299.81 g/mol
Exact Mass299.15
IUPAC Name4-chloro-6-methoxy-N-[3-(2-methylpiperidin-1-yl)propyl]-1,3,5-triazin-2-amine
SMILESCOc1nc(Cl)nc(NCCCN2CCCCC2C)n1
InChIInChI=1S/C13H22ClN5O/c1-10-6-3-4-8-19(10)9-5-7-15-12-16-11(14)17-13(18-12)20-2/h10H,3-9H2,1-2H3,(H,15,16,17,18)
InChIKeyAJMTXQAPTYTCDZ-UHFFFAOYSA-N
XLogP2.21
TPSA63.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.81
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-chloro-N-(3-cyclopentylpropyl)-6-methoxy-1,3,5-triazin-2-amine
CID 114137248
4-chloro-6-methoxy-N-[(1-methylpiperidin-2-yl)methyl]-1,3,5-triazin-2-amine
CID 62858154
5,6-dimethyl-N-[3-(2-methylpiperidin-1-yl)propyl]-1,2,4-triazin-3-amine
CID 114448150
6-methoxy-2-N-[3-(2-methylpiperidin-1-yl)propyl]pyridine-2,5-diamine
CID 43261071
4-ethoxy-N-[3-(2-methylpiperidin-1-yl)propyl]pyrimidin-2-amine
CID 115974404
6-methoxy-4-N-methyl-2-N-(3-pyrrolidin-1-ylpropyl)-1,3,5-triazine-2,4-diamine
CID 80830863
4-N,4-N-dimethyl-2-N-[3-(2-methylpiperidin-1-yl)propyl]pyrimidine-2,4-diamine
CID 133383415
N-[3-(2-methylpiperidin-1-yl)propyl]-1,4,5,6-tetrahydropyrimidin-2-amine
CID 110914239
2-[3-(2-methylpiperidin-1-yl)propylamino]pyrimidine-4-carboxylic acid
CID 107553233
4-chloro-6-methoxy-N-(2-piperidin-1-ylpropyl)-1,3,5-triazin-2-amine
CID 62859494
1-(2-methoxyethyl)-4-methyl-N-[3-(2-methylpiperidin-1-yl)propyl]imidazol-2-amine
CID 106557477
methyl 6-[3-(2-methylpiperidin-1-yl)propylamino]pyrazine-2-carboxylate
CID 66457281

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-methoxy-N-[3-(2-methylpiperidin-1-yl)propyl]-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-6-methoxy-N-[3-(2-methylpiperidin-1-yl)propyl]-1,3,5-triazin-2-amine (CID 62857307) is 4-chloro-6-methoxy-N-[3-(2-methylpiperidin-1-yl)propyl]-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-6-methoxy-N-[3-(2-methylpiperidin-1-yl)propyl]-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-6-methoxy-N-[3-(2-methylpiperidin-1-yl)propyl]-1,3,5-triazin-2-amine is COc1nc(Cl)nc(NCCCN2CCCCC2C)n1.
What is the InChIKey of 4-chloro-6-methoxy-N-[3-(2-methylpiperidin-1-yl)propyl]-1,3,5-triazin-2-amine?
The InChIKey is AJMTXQAPTYTCDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22ClN5O/c1-10-6-3-4-8-19(10)9-5-7-15-12-16-11(14)17-13(18-12)20-2/h10H,3-9H2,1-2H3,(H,15,16,17,18).
What are the key properties of 4-chloro-6-methoxy-N-[3-(2-methylpiperidin-1-yl)propyl]-1,3,5-triazin-2-amine?
4-chloro-6-methoxy-N-[3-(2-methylpiperidin-1-yl)propyl]-1,3,5-triazin-2-amine has a molecular weight of 299.81 g/mol, XLogP of 2.21, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-methoxy-N-[3-(2-methylpiperidin-1-yl)propyl]-1,3,5-triazin-2-amine is sourced from PubChem (CID 62857307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).