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

C22H24N4O — CID 112934233

IUPACN-[(2-methoxyphenyl)methyl]-6-phenyl-2-pyrrolidin-1-ylpyrimidin-4-amine
SMILESCOc1ccccc1CNc1cc(-c2ccccc2)nc(N2CCCC2)n1
InChIInChI=1S/C22H24N4O/c1-27-20-12-6-5-11-18(20)16-23-21-15-19(17-9-3-2-4-10-17)24-22(25-21)26-13-7-8-14-26/h2-6,9-12,15H,7-8,13-14,16H2,1H3,(H,23,24,25)
InChIKeyLRPXKKWIDMEPCH-UHFFFAOYSA-N
MW360.46 g/mol
LogP4.36
Rot. Bonds6

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

N-[(2-methoxyphenyl)methyl]-6-phenyl-2-pyrrolidin-1-ylpyrimidin-4-amine (PubChem CID 112934233) has the molecular formula C22H24N4O and a molecular weight of 360.46 g/mol. Its IUPAC name is N-[(2-methoxyphenyl)methyl]-6-phenyl-2-pyrrolidin-1-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[(2-methoxyphenyl)methyl]-6-phenyl-2-pyrrolidin-1-ylpyrimidin-4-amine
PubChem CID112934233
Molecular FormulaC22H24N4O
Molecular Weight360.46 g/mol
Exact Mass360.20
IUPAC NameN-[(2-methoxyphenyl)methyl]-6-phenyl-2-pyrrolidin-1-ylpyrimidin-4-amine
SMILESCOc1ccccc1CNc1cc(-c2ccccc2)nc(N2CCCC2)n1
InChIInChI=1S/C22H24N4O/c1-27-20-12-6-5-11-18(20)16-23-21-15-19(17-9-3-2-4-10-17)24-22(25-21)26-13-7-8-14-26/h2-6,9-12,15H,7-8,13-14,16H2,1H3,(H,23,24,25)
InChIKeyLRPXKKWIDMEPCH-UHFFFAOYSA-N
XLogP4.36
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-methylpropyl)-6-phenyl-2-pyrrolidin-1-ylpyrimidin-4-amine
CID 112933703
N-pentyl-6-phenyl-2-pyrrolidin-1-ylpyrimidin-4-amine
CID 112934269
N-methyl-6-phenyl-2-pyrrolidin-1-ylpyrimidin-4-amine
CID 62192650
N-[2-(2-methoxyphenyl)ethyl]-6-methyl-2-piperidin-1-ylpyrimidin-4-amine
CID 112910186
2-N,2-N-diethyl-4-N-[(2-methoxyphenyl)methyl]-6-phenylpyrimidine-2,4-diamine
CID 112937035
2-N-[(2R)-butan-2-yl]-4-N-[(2-methoxyphenyl)methyl]-6-phenylpyrimidine-2,4-diamine
CID 124748999
N',N'-dimethyl-N-(6-phenyl-2-piperidin-1-ylpyrimidin-4-yl)ethane-1,2-diamine
CID 112934570
N-benzyl-2-(4-methylpiperazin-1-yl)-6-phenylpyrimidin-4-amine
CID 112936341
N-(4-methoxyphenyl)-6-phenyl-2-piperidin-1-ylpyrimidin-4-amine
CID 112934626
4-(3,4-dimethoxyphenyl)-6-phenyl-2-pyrrolidin-1-ylpyrimidine
CID 630454
N-[(2-methoxyphenyl)methyl]-6-methyl-2-(4-methylpiperidin-1-yl)pyrimidin-4-amine
CID 112910881
N-[(2-methoxyphenyl)methyl]-4-(4-methylpiperazin-1-yl)-6-phenylpyrimidin-2-amine
CID 112936261

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxyphenyl)methyl]-6-phenyl-2-pyrrolidin-1-ylpyrimidin-4-amine?
The IUPAC name of N-[(2-methoxyphenyl)methyl]-6-phenyl-2-pyrrolidin-1-ylpyrimidin-4-amine (CID 112934233) is N-[(2-methoxyphenyl)methyl]-6-phenyl-2-pyrrolidin-1-ylpyrimidin-4-amine.
What is the SMILES notation for N-[(2-methoxyphenyl)methyl]-6-phenyl-2-pyrrolidin-1-ylpyrimidin-4-amine?
The canonical SMILES for N-[(2-methoxyphenyl)methyl]-6-phenyl-2-pyrrolidin-1-ylpyrimidin-4-amine is COc1ccccc1CNc1cc(-c2ccccc2)nc(N2CCCC2)n1.
What is the InChIKey of N-[(2-methoxyphenyl)methyl]-6-phenyl-2-pyrrolidin-1-ylpyrimidin-4-amine?
The InChIKey is LRPXKKWIDMEPCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O/c1-27-20-12-6-5-11-18(20)16-23-21-15-19(17-9-3-2-4-10-17)24-22(25-21)26-13-7-8-14-26/h2-6,9-12,15H,7-8,13-14,16H2,1H3,(H,23,24,25).
What are the key properties of N-[(2-methoxyphenyl)methyl]-6-phenyl-2-pyrrolidin-1-ylpyrimidin-4-amine?
N-[(2-methoxyphenyl)methyl]-6-phenyl-2-pyrrolidin-1-ylpyrimidin-4-amine has a molecular weight of 360.46 g/mol, XLogP of 4.36, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxyphenyl)methyl]-6-phenyl-2-pyrrolidin-1-ylpyrimidin-4-amine is sourced from PubChem (CID 112934233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).