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

C10H16ClN5O — CID 106996266

IUPAC4-chloro-6-methoxy-N-(2-methylpiperidin-4-yl)-1,3,5-triazin-2-amine
SMILESCOc1nc(Cl)nc(NC2CCNC(C)C2)n1
InChIInChI=1S/C10H16ClN5O/c1-6-5-7(3-4-12-6)13-9-14-8(11)15-10(16-9)17-2/h6-7,12H,3-5H2,1-2H3,(H,13,14,15,16)
InChIKeyLWBINZJVZGMHGZ-UHFFFAOYSA-N
MW257.72 g/mol
LogP1.09
Rot. Bonds3

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

4-chloro-6-methoxy-N-(2-methylpiperidin-4-yl)-1,3,5-triazin-2-amine (PubChem CID 106996266) has the molecular formula C10H16ClN5O and a molecular weight of 257.72 g/mol. Its IUPAC name is 4-chloro-6-methoxy-N-(2-methylpiperidin-4-yl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-6-methoxy-N-(2-methylpiperidin-4-yl)-1,3,5-triazin-2-amine
PubChem CID106996266
Molecular FormulaC10H16ClN5O
Molecular Weight257.72 g/mol
Exact Mass257.10
IUPAC Name4-chloro-6-methoxy-N-(2-methylpiperidin-4-yl)-1,3,5-triazin-2-amine
SMILESCOc1nc(Cl)nc(NC2CCNC(C)C2)n1
InChIInChI=1S/C10H16ClN5O/c1-6-5-7(3-4-12-6)13-9-14-8(11)15-10(16-9)17-2/h6-7,12H,3-5H2,1-2H3,(H,13,14,15,16)
InChIKeyLWBINZJVZGMHGZ-UHFFFAOYSA-N
XLogP1.09
TPSA71.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.72
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-chloro-N-(3-ethylcyclohexyl)-6-methoxy-1,3,5-triazin-2-amine
CID 64743928
4-chloro-6-methoxy-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazin-2-amine
CID 139072887
4-chloro-6-ethoxy-N-(3-methylcyclohexyl)-1,3,5-triazin-2-amine
CID 55124366
4-chloro-6-methoxy-N-(2-piperidin-4-yloxyethyl)-1,3,5-triazin-2-amine
CID 63869500
4-chloro-N-(2,2-dimethylcyclohexyl)-6-methoxy-1,3,5-triazin-2-amine
CID 79871701
N-(1,2-dimethylpiperidin-4-yl)-4,6-dimethoxy-1,3,5-triazin-2-amine
CID 79034210
N-cyclohexyl-4,6-dimethoxy-1,3,5-triazin-2-amine
CID 15184090
N-cyclooctyl-4,6-dimethoxy-1,3,5-triazin-2-amine
CID 62859800
4-ethoxy-6-methyl-N-(2-methylpiperidin-4-yl)pyrimidin-2-amine
CID 106996136
5-bromo-N-(2-methylpiperidin-4-yl)pyrimidin-2-amine
CID 106996112
4-chloro-N-(3,5-dimethylcyclohexyl)-6-ethoxy-1,3,5-triazin-2-amine
CID 64732550
4-chloro-N-(3,5-dimethylcyclohexyl)-6-propan-2-yloxy-1,3,5-triazin-2-amine
CID 64731761

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-methoxy-N-(2-methylpiperidin-4-yl)-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-6-methoxy-N-(2-methylpiperidin-4-yl)-1,3,5-triazin-2-amine (CID 106996266) is 4-chloro-6-methoxy-N-(2-methylpiperidin-4-yl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-6-methoxy-N-(2-methylpiperidin-4-yl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-6-methoxy-N-(2-methylpiperidin-4-yl)-1,3,5-triazin-2-amine is COc1nc(Cl)nc(NC2CCNC(C)C2)n1.
What is the InChIKey of 4-chloro-6-methoxy-N-(2-methylpiperidin-4-yl)-1,3,5-triazin-2-amine?
The InChIKey is LWBINZJVZGMHGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16ClN5O/c1-6-5-7(3-4-12-6)13-9-14-8(11)15-10(16-9)17-2/h6-7,12H,3-5H2,1-2H3,(H,13,14,15,16).
What are the key properties of 4-chloro-6-methoxy-N-(2-methylpiperidin-4-yl)-1,3,5-triazin-2-amine?
4-chloro-6-methoxy-N-(2-methylpiperidin-4-yl)-1,3,5-triazin-2-amine has a molecular weight of 257.72 g/mol, XLogP of 1.09, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-methoxy-N-(2-methylpiperidin-4-yl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 106996266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).