N-[(2-methoxyphenyl)methyl]-4-methyl-6-pyrrolidin-1-ylpyrimidin-2-amine

C17H22N4O — CID 112909254

IUPACN-[(2-methoxyphenyl)methyl]-4-methyl-6-pyrrolidin-1-ylpyrimidin-2-amine
SMILESCOc1ccccc1CNc1nc(C)cc(N2CCCC2)n1
InChIInChI=1S/C17H22N4O/c1-13-11-16(21-9-5-6-10-21)20-17(19-13)18-12-14-7-3-4-8-15(14)22-2/h3-4,7-8,11H,5-6,9-10,12H2,1-2H3,(H,18,19,20)
InChIKeyMAQHXZFPCMFEMF-UHFFFAOYSA-N
MW298.39 g/mol
LogP3.01
Rot. Bonds5

About N-[(2-methoxyphenyl)methyl]-4-methyl-6-pyrrolidin-1-ylpyrimidin-2-amine

N-[(2-methoxyphenyl)methyl]-4-methyl-6-pyrrolidin-1-ylpyrimidin-2-amine (PubChem CID 112909254) has the molecular formula C17H22N4O and a molecular weight of 298.39 g/mol. Its IUPAC name is N-[(2-methoxyphenyl)methyl]-4-methyl-6-pyrrolidin-1-ylpyrimidin-2-amine.

Molecular Properties

Compound NameN-[(2-methoxyphenyl)methyl]-4-methyl-6-pyrrolidin-1-ylpyrimidin-2-amine
PubChem CID112909254
Molecular FormulaC17H22N4O
Molecular Weight298.39 g/mol
Exact Mass298.18
IUPAC NameN-[(2-methoxyphenyl)methyl]-4-methyl-6-pyrrolidin-1-ylpyrimidin-2-amine
SMILESCOc1ccccc1CNc1nc(C)cc(N2CCCC2)n1
InChIInChI=1S/C17H22N4O/c1-13-11-16(21-9-5-6-10-21)20-17(19-13)18-12-14-7-3-4-8-15(14)22-2/h3-4,7-8,11H,5-6,9-10,12H2,1-2H3,(H,18,19,20)
InChIKeyMAQHXZFPCMFEMF-UHFFFAOYSA-N
XLogP3.01
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-[2-[(2-methoxyphenyl)methylamino]-6-methylpyrimidin-4-yl]piperazin-1-yl]ethanone
CID 112914826
2-methoxy-N-[2-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)amino]ethyl]benzenesulfonamide
CID 122295080
4-(azepan-1-yl)-N-[(3,4-dimethoxyphenyl)methyl]-6-methylpyrimidin-2-amine
CID 112922785
N-[2-(2-fluorophenyl)ethyl]-4-methyl-6-pyrrolidin-1-ylpyrimidin-2-amine
CID 112909263
2-methoxy-N-[2-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)amino]ethyl]benzamide
CID 50945981
N-[2-(2-fluorophenyl)ethyl]-4-methyl-6-piperidin-1-ylpyrimidin-2-amine
CID 112910002
N-[(2-methoxyphenyl)methyl]-4-(4-methylpiperazin-1-yl)-6-phenylpyrimidin-2-amine
CID 112936261
N-[(2-methoxyphenyl)methyl]-2-methyl-4-pyrrolidin-1-ylquinolin-7-amine
CID 10236941
1-[4-[2-[(2-methoxyphenyl)methylamino]-6-methylpyrimidine-4-carbonyl]piperazin-1-yl]ethanone
CID 109326670
1-[6-methyl-2-[(2-methylphenyl)methylamino]pyrimidin-4-yl]piperidine-4-carboxylic acid
CID 113194099
4-(3,4-dihydro-2H-quinolin-1-yl)-N-[2-(2-methoxyphenyl)ethyl]-6-methylpyrimidin-2-amine
CID 112921049
1-(2-methoxyphenyl)-3-[4-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)amino]phenyl]urea
CID 56921755

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxyphenyl)methyl]-4-methyl-6-pyrrolidin-1-ylpyrimidin-2-amine?
The IUPAC name of N-[(2-methoxyphenyl)methyl]-4-methyl-6-pyrrolidin-1-ylpyrimidin-2-amine (CID 112909254) is N-[(2-methoxyphenyl)methyl]-4-methyl-6-pyrrolidin-1-ylpyrimidin-2-amine.
What is the SMILES notation for N-[(2-methoxyphenyl)methyl]-4-methyl-6-pyrrolidin-1-ylpyrimidin-2-amine?
The canonical SMILES for N-[(2-methoxyphenyl)methyl]-4-methyl-6-pyrrolidin-1-ylpyrimidin-2-amine is COc1ccccc1CNc1nc(C)cc(N2CCCC2)n1.
What is the InChIKey of N-[(2-methoxyphenyl)methyl]-4-methyl-6-pyrrolidin-1-ylpyrimidin-2-amine?
The InChIKey is MAQHXZFPCMFEMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O/c1-13-11-16(21-9-5-6-10-21)20-17(19-13)18-12-14-7-3-4-8-15(14)22-2/h3-4,7-8,11H,5-6,9-10,12H2,1-2H3,(H,18,19,20).
What are the key properties of N-[(2-methoxyphenyl)methyl]-4-methyl-6-pyrrolidin-1-ylpyrimidin-2-amine?
N-[(2-methoxyphenyl)methyl]-4-methyl-6-pyrrolidin-1-ylpyrimidin-2-amine has a molecular weight of 298.39 g/mol, XLogP of 3.01, 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]-4-methyl-6-pyrrolidin-1-ylpyrimidin-2-amine is sourced from PubChem (CID 112909254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).