N-[(2-fluorophenyl)methyl]-5-methoxy-2-pyridin-2-ylpyrimidin-4-amine

C17H15FN4O — CID 70697151

IUPACN-[(2-fluorophenyl)methyl]-5-methoxy-2-pyridin-2-ylpyrimidin-4-amine
SMILESCOc1cnc(-c2ccccn2)nc1NCc1ccccc1F
InChIInChI=1S/C17H15FN4O/c1-23-15-11-21-16(14-8-4-5-9-19-14)22-17(15)20-10-12-6-2-3-7-13(12)18/h2-9,11H,10H2,1H3,(H,20,21,22)
InChIKeyMNEUEWDEJDGILN-UHFFFAOYSA-N
MW310.33 g/mol
LogP3.30
Rot. Bonds5

About N-[(2-fluorophenyl)methyl]-5-methoxy-2-pyridin-2-ylpyrimidin-4-amine

N-[(2-fluorophenyl)methyl]-5-methoxy-2-pyridin-2-ylpyrimidin-4-amine (PubChem CID 70697151) has the molecular formula C17H15FN4O and a molecular weight of 310.33 g/mol. Its IUPAC name is N-[(2-fluorophenyl)methyl]-5-methoxy-2-pyridin-2-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[(2-fluorophenyl)methyl]-5-methoxy-2-pyridin-2-ylpyrimidin-4-amine
PubChem CID70697151
Molecular FormulaC17H15FN4O
Molecular Weight310.33 g/mol
Exact Mass310.12
IUPAC NameN-[(2-fluorophenyl)methyl]-5-methoxy-2-pyridin-2-ylpyrimidin-4-amine
SMILESCOc1cnc(-c2ccccn2)nc1NCc1ccccc1F
InChIInChI=1S/C17H15FN4O/c1-23-15-11-21-16(14-8-4-5-9-19-14)22-17(15)20-10-12-6-2-3-7-13(12)18/h2-9,11H,10H2,1H3,(H,20,21,22)
InChIKeyMNEUEWDEJDGILN-UHFFFAOYSA-N
XLogP3.30
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.33
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[1-[(2-fluorophenyl)methyl]indazol-3-yl]-5-methoxy-N-pyridin-2-ylpyrimidin-4-amine
CID 130405195
N,N-diethyl-5-[(2-fluorophenyl)methyl]-2-pyridin-2-ylpyrimidin-4-amine
CID 51042444
N-ethyl-5-methoxy-N-methyl-2-pyridin-2-ylpyrimidin-4-amine
CID 51042235
N-[2-(2-methoxyphenyl)ethyl]-5,6-dimethyl-2-pyridin-2-ylpyrimidin-4-amine
CID 56563768
5-[(2-fluorophenyl)methyl]-4-(4-methylpiperazin-1-yl)-2-pyridin-2-ylpyrimidine
CID 51042448
N-[(2-fluorophenyl)methyl]-7,8-dimethoxyquinazolin-4-amine
CID 110431413
5-methoxy-2-pyridin-2-yl-4-pyrrolidin-1-ylpyrimidine
CID 1470848
2-(2-fluoro-6-methoxyphenyl)pyridine
CID 66942163
5-(aminomethyl)-N-methyl-2-pyridin-2-ylpyrimidin-4-amine
CID 82509043
4,6-dichloro-5-[(2-fluorophenyl)methyl]-2-pyridin-2-ylpyrimidine
CID 86668904
N-[(2-chlorophenyl)methyl]-5,6-dimethyl-2-pyridin-2-ylpyrimidin-4-amine
CID 56564118
N-[(2-fluorophenyl)methyl]-5,6-dimethoxy-1H-benzimidazol-2-amine
CID 82563008

Frequently Asked Questions

What is the IUPAC name of N-[(2-fluorophenyl)methyl]-5-methoxy-2-pyridin-2-ylpyrimidin-4-amine?
The IUPAC name of N-[(2-fluorophenyl)methyl]-5-methoxy-2-pyridin-2-ylpyrimidin-4-amine (CID 70697151) is N-[(2-fluorophenyl)methyl]-5-methoxy-2-pyridin-2-ylpyrimidin-4-amine.
What is the SMILES notation for N-[(2-fluorophenyl)methyl]-5-methoxy-2-pyridin-2-ylpyrimidin-4-amine?
The canonical SMILES for N-[(2-fluorophenyl)methyl]-5-methoxy-2-pyridin-2-ylpyrimidin-4-amine is COc1cnc(-c2ccccn2)nc1NCc1ccccc1F.
What is the InChIKey of N-[(2-fluorophenyl)methyl]-5-methoxy-2-pyridin-2-ylpyrimidin-4-amine?
The InChIKey is MNEUEWDEJDGILN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN4O/c1-23-15-11-21-16(14-8-4-5-9-19-14)22-17(15)20-10-12-6-2-3-7-13(12)18/h2-9,11H,10H2,1H3,(H,20,21,22).
What are the key properties of N-[(2-fluorophenyl)methyl]-5-methoxy-2-pyridin-2-ylpyrimidin-4-amine?
N-[(2-fluorophenyl)methyl]-5-methoxy-2-pyridin-2-ylpyrimidin-4-amine has a molecular weight of 310.33 g/mol, XLogP of 3.30, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluorophenyl)methyl]-5-methoxy-2-pyridin-2-ylpyrimidin-4-amine is sourced from PubChem (CID 70697151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).