N-[(4-methoxyphenyl)methyl]-5-(5-methylpyrimidin-2-yl)oxypyridin-2-amine

C18H18N4O2 — CID 158165887

IUPACN-[(4-methoxyphenyl)methyl]-5-(5-methylpyrimidin-2-yl)oxypyridin-2-amine
SMILESCOc1ccc(CNc2ccc(Oc3ncc(C)cn3)cn2)cc1
InChIInChI=1S/C18H18N4O2/c1-13-9-21-18(22-10-13)24-16-7-8-17(20-12-16)19-11-14-3-5-15(23-2)6-4-14/h3-10,12H,11H2,1-2H3,(H,19,20)
InChIKeyFWVJTVURMFYYFN-UHFFFAOYSA-N
MW322.37 g/mol
LogP3.59
Rot. Bonds6

About N-[(4-methoxyphenyl)methyl]-5-(5-methylpyrimidin-2-yl)oxypyridin-2-amine

N-[(4-methoxyphenyl)methyl]-5-(5-methylpyrimidin-2-yl)oxypyridin-2-amine (PubChem CID 158165887) has the molecular formula C18H18N4O2 and a molecular weight of 322.37 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]-5-(5-methylpyrimidin-2-yl)oxypyridin-2-amine.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methyl]-5-(5-methylpyrimidin-2-yl)oxypyridin-2-amine
PubChem CID158165887
Molecular FormulaC18H18N4O2
Molecular Weight322.37 g/mol
Exact Mass322.14
IUPAC NameN-[(4-methoxyphenyl)methyl]-5-(5-methylpyrimidin-2-yl)oxypyridin-2-amine
SMILESCOc1ccc(CNc2ccc(Oc3ncc(C)cn3)cn2)cc1
InChIInChI=1S/C18H18N4O2/c1-13-9-21-18(22-10-13)24-16-7-8-17(20-12-16)19-11-14-3-5-15(23-2)6-4-14/h3-10,12H,11H2,1-2H3,(H,19,20)
InChIKeyFWVJTVURMFYYFN-UHFFFAOYSA-N
XLogP3.59
TPSA69.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(4-bromophenyl)methyl]-5-methoxypyridin-2-amine
CID 103802163
5-fluoro-N-[(4-methoxyphenyl)methyl]pyridin-2-amine
CID 61311584
N-[(4-methoxyphenyl)methyl]-5-propan-2-ylpyridin-2-amine
CID 118954417
5-methoxy-N-(1H-pyrazol-4-ylmethyl)pyridin-2-amine
CID 103802199
2-N-[(4-methoxyphenyl)methyl]-5-methylpyridine-2,4-diamine
CID 83265796
N-[2-(4-methoxyphenoxy)ethyl]-6-[(4-methylphenyl)methylamino]pyridine-3-carboxamide
CID 109155978
5-methoxy-N-(thiophen-3-ylmethyl)pyridin-2-amine
CID 103802149
2-N-[(4-methoxyphenyl)methyl]-4-N-[(4-methylphenyl)methyl]pyrimidine-2,4-diamine
CID 112890248
N-[[4-(aminomethyl)phenyl]methyl]-5-methylpyridin-2-amine
CID 54936126
N-[6-[(4-methoxyphenyl)methylamino]-3-pyridinyl]-2,4-dimethylbenzenesulfonamide
CID 113012489
3-[(4-methoxyphenyl)methylamino]-1H-pyridazine-6-thione
CID 106523217
N-[(3-fluorophenyl)methyl]-5-methoxypyridin-2-amine
CID 103802193

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)methyl]-5-(5-methylpyrimidin-2-yl)oxypyridin-2-amine?
The IUPAC name of N-[(4-methoxyphenyl)methyl]-5-(5-methylpyrimidin-2-yl)oxypyridin-2-amine (CID 158165887) is N-[(4-methoxyphenyl)methyl]-5-(5-methylpyrimidin-2-yl)oxypyridin-2-amine.
What is the SMILES notation for N-[(4-methoxyphenyl)methyl]-5-(5-methylpyrimidin-2-yl)oxypyridin-2-amine?
The canonical SMILES for N-[(4-methoxyphenyl)methyl]-5-(5-methylpyrimidin-2-yl)oxypyridin-2-amine is COc1ccc(CNc2ccc(Oc3ncc(C)cn3)cn2)cc1.
What is the InChIKey of N-[(4-methoxyphenyl)methyl]-5-(5-methylpyrimidin-2-yl)oxypyridin-2-amine?
The InChIKey is FWVJTVURMFYYFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O2/c1-13-9-21-18(22-10-13)24-16-7-8-17(20-12-16)19-11-14-3-5-15(23-2)6-4-14/h3-10,12H,11H2,1-2H3,(H,19,20).
What are the key properties of N-[(4-methoxyphenyl)methyl]-5-(5-methylpyrimidin-2-yl)oxypyridin-2-amine?
N-[(4-methoxyphenyl)methyl]-5-(5-methylpyrimidin-2-yl)oxypyridin-2-amine has a molecular weight of 322.37 g/mol, XLogP of 3.59, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)methyl]-5-(5-methylpyrimidin-2-yl)oxypyridin-2-amine is sourced from PubChem (CID 158165887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).