N-[(2-methoxyphenyl)methyl]-5-pyridin-3-ylpyrimidin-4-amine

C17H16N4O — CID 3235154

IUPACN-[(2-methoxyphenyl)methyl]-5-pyridin-3-ylpyrimidin-4-amine
SMILESCOc1ccccc1CNc1ncncc1-c1cccnc1
InChIInChI=1S/C17H16N4O/c1-22-16-7-3-2-5-14(16)10-20-17-15(11-19-12-21-17)13-6-4-8-18-9-13/h2-9,11-12H,10H2,1H3,(H,19,20,21)
InChIKeyVZJRTWDILWKHCU-UHFFFAOYSA-N
MW292.34 g/mol
LogP3.16
Rot. Bonds5

About N-[(2-methoxyphenyl)methyl]-5-pyridin-3-ylpyrimidin-4-amine

N-[(2-methoxyphenyl)methyl]-5-pyridin-3-ylpyrimidin-4-amine (PubChem CID 3235154) has the molecular formula C17H16N4O and a molecular weight of 292.34 g/mol. Its IUPAC name is N-[(2-methoxyphenyl)methyl]-5-pyridin-3-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[(2-methoxyphenyl)methyl]-5-pyridin-3-ylpyrimidin-4-amine
PubChem CID3235154
Molecular FormulaC17H16N4O
Molecular Weight292.34 g/mol
Exact Mass292.13
IUPAC NameN-[(2-methoxyphenyl)methyl]-5-pyridin-3-ylpyrimidin-4-amine
SMILESCOc1ccccc1CNc1ncncc1-c1cccnc1
InChIInChI=1S/C17H16N4O/c1-22-16-7-3-2-5-14(16)10-20-17-15(11-19-12-21-17)13-6-4-8-18-9-13/h2-9,11-12H,10H2,1H3,(H,19,20,21)
InChIKeyVZJRTWDILWKHCU-UHFFFAOYSA-N
XLogP3.16
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Piritrexim
CID 54369
Lexibulin
CID 11351021
Thonzylamine
CID 5457
Thonzylamine Hydrochloride
CID 6136
2,4-Pyrimidinediamine, 5-((3-methoxyphenyl)methyl)-
CID 101067
6-Ethyl-5-{3-[2-Methoxy-5-(Pyridin-4-Yl)phenyl]prop-1-Yn-1-Yl}pyrimidine-2,4-Diamine
CID 57149549
6-Ethyl-5-{3-[3-Methoxy-5-(Pyridin-4-Yl)phenyl]prop-1-Yn-1-Yl}pyrimidine-2,4-Diamine
CID 57149550
6-[(5-Iodo-2-methoxyphenyl)methyl]-5-methylpyrido[2,3-d]pyrimidine-2,4-diamine
CID 6481091
N6-(2,5-Dimethoxy-Benzyl)-N6-Methyl-Pyrido[2,3-D]Pyrimidine-2,4,6-Triamine
CID 444617
6-(2,6-Dimethoxyphenyl)pyrido(2,3-d)pyrimidine-2,7-diamine
CID 21850055
(3R,4S)-1-[6-(6-methoxypyridin-3-yl)pyrimidin-4-yl]-4-(2,4,5-trifluorophenyl)pyrrolidin-3-amine
CID 24180585
N-(4-methoxyphenyl)-2-pyridin-4-ylquinazolin-4-amine
CID 877998

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxyphenyl)methyl]-5-pyridin-3-ylpyrimidin-4-amine?
The IUPAC name of N-[(2-methoxyphenyl)methyl]-5-pyridin-3-ylpyrimidin-4-amine (CID 3235154) is N-[(2-methoxyphenyl)methyl]-5-pyridin-3-ylpyrimidin-4-amine.
What is the SMILES notation for N-[(2-methoxyphenyl)methyl]-5-pyridin-3-ylpyrimidin-4-amine?
The canonical SMILES for N-[(2-methoxyphenyl)methyl]-5-pyridin-3-ylpyrimidin-4-amine is COc1ccccc1CNc1ncncc1-c1cccnc1.
What is the InChIKey of N-[(2-methoxyphenyl)methyl]-5-pyridin-3-ylpyrimidin-4-amine?
The InChIKey is VZJRTWDILWKHCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O/c1-22-16-7-3-2-5-14(16)10-20-17-15(11-19-12-21-17)13-6-4-8-18-9-13/h2-9,11-12H,10H2,1H3,(H,19,20,21).
What are the key properties of N-[(2-methoxyphenyl)methyl]-5-pyridin-3-ylpyrimidin-4-amine?
N-[(2-methoxyphenyl)methyl]-5-pyridin-3-ylpyrimidin-4-amine has a molecular weight of 292.34 g/mol, XLogP of 3.16, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxyphenyl)methyl]-5-pyridin-3-ylpyrimidin-4-amine is sourced from PubChem (CID 3235154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).