2-N-[(2-chlorophenyl)methyl]-6-methoxypyridine-2,5-diamine

C13H14ClN3O — CID 43261047

IUPAC2-N-[(2-chlorophenyl)methyl]-6-methoxypyridine-2,5-diamine
SMILESCOc1nc(NCc2ccccc2Cl)ccc1N
InChIInChI=1S/C13H14ClN3O/c1-18-13-11(15)6-7-12(17-13)16-8-9-4-2-3-5-10(9)14/h2-7H,8,15H2,1H3,(H,16,17)
InChIKeyNVMBTRHMHHSEAW-UHFFFAOYSA-N
MW263.73 g/mol
LogP2.94
Rot. Bonds4

About 2-N-[(2-chlorophenyl)methyl]-6-methoxypyridine-2,5-diamine

2-N-[(2-chlorophenyl)methyl]-6-methoxypyridine-2,5-diamine (PubChem CID 43261047) has the molecular formula C13H14ClN3O and a molecular weight of 263.73 g/mol. Its IUPAC name is 2-N-[(2-chlorophenyl)methyl]-6-methoxypyridine-2,5-diamine.

Molecular Properties

Compound Name2-N-[(2-chlorophenyl)methyl]-6-methoxypyridine-2,5-diamine
PubChem CID43261047
Molecular FormulaC13H14ClN3O
Molecular Weight263.73 g/mol
Exact Mass263.08
IUPAC Name2-N-[(2-chlorophenyl)methyl]-6-methoxypyridine-2,5-diamine
SMILESCOc1nc(NCc2ccccc2Cl)ccc1N
InChIInChI=1S/C13H14ClN3O/c1-18-13-11(15)6-7-12(17-13)16-8-9-4-2-3-5-10(9)14/h2-7H,8,15H2,1H3,(H,16,17)
InChIKeyNVMBTRHMHHSEAW-UHFFFAOYSA-N
XLogP2.94
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.73
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-methoxy-2-N-[(2-methoxyphenyl)methyl]pyridine-2,5-diamine
CID 43260997
6-methoxy-2-N-(naphthalen-1-ylmethyl)pyridine-2,5-diamine
CID 62369756
2-N-benzyl-6-methoxypyridine-2,5-diamine
CID 43261004
6-N-[(2-chlorophenyl)methyl]-2-N-ethylpyridine-2,6-diamine
CID 80785211
4-N-[(2-chlorophenyl)methyl]-2-N-[(2-methoxyphenyl)methyl]pyrimidine-2,4-diamine
CID 112891638
6-methoxy-2-N-(2-methylbutan-2-yl)pyridine-2,5-diamine
CID 43261292
2-[(2-chlorophenyl)methoxy]-6-methoxypyridin-3-amine
CID 113286658
6-methoxy-2-N-(2,2,2-trifluoroethyl)pyridine-2,5-diamine
CID 43261093
2-[(5-amino-6-methoxy-2-pyridinyl)amino]-1-phenylethanol
CID 43498862
2-[(5-amino-6-methoxy-2-pyridinyl)amino]acetamide
CID 43260954
3-N-[(2-chlorophenyl)methyl]-5-N-[(2-methoxyphenyl)methyl]-1,2,4-triazine-3,5-diamine
CID 112950324
2-N-[(2-chlorophenyl)methyl]-6-methoxy-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 80785749

Frequently Asked Questions

What is the IUPAC name of 2-N-[(2-chlorophenyl)methyl]-6-methoxypyridine-2,5-diamine?
The IUPAC name of 2-N-[(2-chlorophenyl)methyl]-6-methoxypyridine-2,5-diamine (CID 43261047) is 2-N-[(2-chlorophenyl)methyl]-6-methoxypyridine-2,5-diamine.
What is the SMILES notation for 2-N-[(2-chlorophenyl)methyl]-6-methoxypyridine-2,5-diamine?
The canonical SMILES for 2-N-[(2-chlorophenyl)methyl]-6-methoxypyridine-2,5-diamine is COc1nc(NCc2ccccc2Cl)ccc1N.
What is the InChIKey of 2-N-[(2-chlorophenyl)methyl]-6-methoxypyridine-2,5-diamine?
The InChIKey is NVMBTRHMHHSEAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3O/c1-18-13-11(15)6-7-12(17-13)16-8-9-4-2-3-5-10(9)14/h2-7H,8,15H2,1H3,(H,16,17).
What are the key properties of 2-N-[(2-chlorophenyl)methyl]-6-methoxypyridine-2,5-diamine?
2-N-[(2-chlorophenyl)methyl]-6-methoxypyridine-2,5-diamine has a molecular weight of 263.73 g/mol, XLogP of 2.94, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[(2-chlorophenyl)methyl]-6-methoxypyridine-2,5-diamine is sourced from PubChem (CID 43261047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).