2-N-[(4-methoxyphenyl)methyl]-5-methylpyridine-2,4-diamine

C14H17N3O — CID 83265796

IUPAC2-N-[(4-methoxyphenyl)methyl]-5-methylpyridine-2,4-diamine
SMILESCOc1ccc(CNc2cc(N)c(C)cn2)cc1
InChIInChI=1S/C14H17N3O/c1-10-8-16-14(7-13(10)15)17-9-11-3-5-12(18-2)6-4-11/h3-8H,9H2,1-2H3,(H3,15,16,17)
InChIKeyJAPFBLADSYGEEE-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.59
Rot. Bonds4

About 2-N-[(4-methoxyphenyl)methyl]-5-methylpyridine-2,4-diamine

2-N-[(4-methoxyphenyl)methyl]-5-methylpyridine-2,4-diamine (PubChem CID 83265796) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is 2-N-[(4-methoxyphenyl)methyl]-5-methylpyridine-2,4-diamine.

Molecular Properties

Compound Name2-N-[(4-methoxyphenyl)methyl]-5-methylpyridine-2,4-diamine
PubChem CID83265796
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Name2-N-[(4-methoxyphenyl)methyl]-5-methylpyridine-2,4-diamine
SMILESCOc1ccc(CNc2cc(N)c(C)cn2)cc1
InChIInChI=1S/C14H17N3O/c1-10-8-16-14(7-13(10)15)17-9-11-3-5-12(18-2)6-4-11/h3-8H,9H2,1-2H3,(H3,15,16,17)
InChIKeyJAPFBLADSYGEEE-UHFFFAOYSA-N
XLogP2.59
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[4-[[(4-amino-5-methyl-2-pyridinyl)amino]methyl]phenyl]methanol
CID 107231544
2-N-[(4-methoxyphenyl)methyl]-4,5-dimethylbenzene-1,2-diamine
CID 115126731
2-N-[(4-ethylphenyl)methyl]-4-methylpyridine-2,5-diamine
CID 106899259
5-fluoro-N-[(4-methoxyphenyl)methyl]pyridin-2-amine
CID 61311584
3-bromo-N-[(4-methoxyphenyl)methyl]-1,6-naphthyridin-7-amine
CID 164934777
4-amino-2-ethoxy-6-[(4-methoxyphenyl)methylamino]pyridine-3-carbonitrile
CID 70924868
N-[(4-bromophenyl)methyl]-5-methoxypyridin-2-amine
CID 103802163
N-[(4-methoxyphenyl)methyl]-5-propan-2-ylpyridin-2-amine
CID 118954417
5-chloro-N-[(4-methoxyphenyl)methyl]pyridazin-3-amine
CID 134419132
6-N-[2-(4-methoxyphenyl)ethyl]-4-N-[(4-methoxyphenyl)methyl]pyrimidine-4,6-diamine
CID 112860204
N-[(4-methoxyphenyl)methyl]-5-(5-methylpyrimidin-2-yl)oxypyridin-2-amine
CID 158165887
6-N-ethyl-4-N-[(4-methoxyphenyl)methyl]-2-methylpyrimidine-4,6-diamine
CID 80785216

Frequently Asked Questions

What is the IUPAC name of 2-N-[(4-methoxyphenyl)methyl]-5-methylpyridine-2,4-diamine?
The IUPAC name of 2-N-[(4-methoxyphenyl)methyl]-5-methylpyridine-2,4-diamine (CID 83265796) is 2-N-[(4-methoxyphenyl)methyl]-5-methylpyridine-2,4-diamine.
What is the SMILES notation for 2-N-[(4-methoxyphenyl)methyl]-5-methylpyridine-2,4-diamine?
The canonical SMILES for 2-N-[(4-methoxyphenyl)methyl]-5-methylpyridine-2,4-diamine is COc1ccc(CNc2cc(N)c(C)cn2)cc1.
What is the InChIKey of 2-N-[(4-methoxyphenyl)methyl]-5-methylpyridine-2,4-diamine?
The InChIKey is JAPFBLADSYGEEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c1-10-8-16-14(7-13(10)15)17-9-11-3-5-12(18-2)6-4-11/h3-8H,9H2,1-2H3,(H3,15,16,17).
What are the key properties of 2-N-[(4-methoxyphenyl)methyl]-5-methylpyridine-2,4-diamine?
2-N-[(4-methoxyphenyl)methyl]-5-methylpyridine-2,4-diamine has a molecular weight of 243.31 g/mol, XLogP of 2.59, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[(4-methoxyphenyl)methyl]-5-methylpyridine-2,4-diamine is sourced from PubChem (CID 83265796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).