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

C21H21FN4 — CID 112879949

IUPACN-[(2-fluorophenyl)methyl]-2-phenyl-6-pyrrolidin-1-ylpyrimidin-4-amine
SMILESFc1ccccc1CNc1cc(N2CCCC2)nc(-c2ccccc2)n1
InChIInChI=1S/C21H21FN4/c22-18-11-5-4-10-17(18)15-23-19-14-20(26-12-6-7-13-26)25-21(24-19)16-8-2-1-3-9-16/h1-5,8-11,14H,6-7,12-13,15H2,(H,23,24,25)
InChIKeyOZWJENKWTOIIQI-UHFFFAOYSA-N
MW348.43 g/mol
LogP4.49
Rot. Bonds5

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

N-[(2-fluorophenyl)methyl]-2-phenyl-6-pyrrolidin-1-ylpyrimidin-4-amine (PubChem CID 112879949) has the molecular formula C21H21FN4 and a molecular weight of 348.43 g/mol. Its IUPAC name is N-[(2-fluorophenyl)methyl]-2-phenyl-6-pyrrolidin-1-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[(2-fluorophenyl)methyl]-2-phenyl-6-pyrrolidin-1-ylpyrimidin-4-amine
PubChem CID112879949
Molecular FormulaC21H21FN4
Molecular Weight348.43 g/mol
Exact Mass348.18
IUPAC NameN-[(2-fluorophenyl)methyl]-2-phenyl-6-pyrrolidin-1-ylpyrimidin-4-amine
SMILESFc1ccccc1CNc1cc(N2CCCC2)nc(-c2ccccc2)n1
InChIInChI=1S/C21H21FN4/c22-18-11-5-4-10-17(18)15-23-19-14-20(26-12-6-7-13-26)25-21(24-19)16-8-2-1-3-9-16/h1-5,8-11,14H,6-7,12-13,15H2,(H,23,24,25)
InChIKeyOZWJENKWTOIIQI-UHFFFAOYSA-N
XLogP4.49
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.43
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-fluorophenyl)methyl]-2-phenyl-6-piperidin-1-ylpyrimidin-4-amine
CID 112880106
N-[(2-chlorophenyl)methyl]-6-(4-methylpiperazin-1-yl)-2-phenylpyrimidin-4-amine
CID 112880933
6-(azepan-1-yl)-2-phenyl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine
CID 112881321
N-(furan-2-ylmethyl)-2-phenyl-6-piperidin-1-ylpyrimidin-4-amine
CID 112880103
6-(azepan-1-yl)-N-(2-methylpropyl)-2-phenylpyrimidin-4-amine
CID 112879821
N-[(2-methoxyphenyl)methyl]-6-morpholin-4-yl-2-phenylpyrimidin-4-amine
CID 112880506
6-N-[(2-fluorophenyl)methyl]-4-N-(oxolan-2-ylmethyl)-2-phenylpyrimidine-4,6-diamine
CID 112880618
2-phenyl-6-piperidin-1-yl-N-propan-2-ylpyrimidin-4-amine
CID 112879295
N-butan-2-yl-2-phenyl-6-pyrrolidin-1-ylpyrimidin-4-amine
CID 112879854
6-(azepan-1-yl)-N-butan-2-yl-2-phenylpyrimidin-4-amine
CID 112879898
N-[2-(4-methoxyphenyl)ethyl]-2-phenyl-6-pyrrolidin-1-ylpyrimidin-4-amine
CID 112879966
6-(4-methylpiperazin-1-yl)-2-phenyl-N-(pyridin-4-ylmethyl)pyrimidin-4-amine
CID 112880940

Frequently Asked Questions

What is the IUPAC name of N-[(2-fluorophenyl)methyl]-2-phenyl-6-pyrrolidin-1-ylpyrimidin-4-amine?
The IUPAC name of N-[(2-fluorophenyl)methyl]-2-phenyl-6-pyrrolidin-1-ylpyrimidin-4-amine (CID 112879949) is N-[(2-fluorophenyl)methyl]-2-phenyl-6-pyrrolidin-1-ylpyrimidin-4-amine.
What is the SMILES notation for N-[(2-fluorophenyl)methyl]-2-phenyl-6-pyrrolidin-1-ylpyrimidin-4-amine?
The canonical SMILES for N-[(2-fluorophenyl)methyl]-2-phenyl-6-pyrrolidin-1-ylpyrimidin-4-amine is Fc1ccccc1CNc1cc(N2CCCC2)nc(-c2ccccc2)n1.
What is the InChIKey of N-[(2-fluorophenyl)methyl]-2-phenyl-6-pyrrolidin-1-ylpyrimidin-4-amine?
The InChIKey is OZWJENKWTOIIQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN4/c22-18-11-5-4-10-17(18)15-23-19-14-20(26-12-6-7-13-26)25-21(24-19)16-8-2-1-3-9-16/h1-5,8-11,14H,6-7,12-13,15H2,(H,23,24,25).
What are the key properties of N-[(2-fluorophenyl)methyl]-2-phenyl-6-pyrrolidin-1-ylpyrimidin-4-amine?
N-[(2-fluorophenyl)methyl]-2-phenyl-6-pyrrolidin-1-ylpyrimidin-4-amine has a molecular weight of 348.43 g/mol, XLogP of 4.49, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluorophenyl)methyl]-2-phenyl-6-pyrrolidin-1-ylpyrimidin-4-amine is sourced from PubChem (CID 112879949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).