N-[2-(3-methoxyphenyl)ethyl]-4-phenyl-6-pyrrolidin-1-ylpyrimidin-2-amine

C23H26N4O — CID 112934109

IUPACN-[2-(3-methoxyphenyl)ethyl]-4-phenyl-6-pyrrolidin-1-ylpyrimidin-2-amine
SMILESCOc1cccc(CCNc2nc(-c3ccccc3)cc(N3CCCC3)n2)c1
InChIInChI=1S/C23H26N4O/c1-28-20-11-7-8-18(16-20)12-13-24-23-25-21(19-9-3-2-4-10-19)17-22(26-23)27-14-5-6-15-27/h2-4,7-11,16-17H,5-6,12-15H2,1H3,(H,24,25,26)
InChIKeyNAMACIVGHONXSH-UHFFFAOYSA-N
MW374.49 g/mol
LogP4.41
Rot. Bonds7

About N-[2-(3-methoxyphenyl)ethyl]-4-phenyl-6-pyrrolidin-1-ylpyrimidin-2-amine

N-[2-(3-methoxyphenyl)ethyl]-4-phenyl-6-pyrrolidin-1-ylpyrimidin-2-amine (PubChem CID 112934109) has the molecular formula C23H26N4O and a molecular weight of 374.49 g/mol. Its IUPAC name is N-[2-(3-methoxyphenyl)ethyl]-4-phenyl-6-pyrrolidin-1-ylpyrimidin-2-amine.

Molecular Properties

Compound NameN-[2-(3-methoxyphenyl)ethyl]-4-phenyl-6-pyrrolidin-1-ylpyrimidin-2-amine
PubChem CID112934109
Molecular FormulaC23H26N4O
Molecular Weight374.49 g/mol
Exact Mass374.21
IUPAC NameN-[2-(3-methoxyphenyl)ethyl]-4-phenyl-6-pyrrolidin-1-ylpyrimidin-2-amine
SMILESCOc1cccc(CCNc2nc(-c3ccccc3)cc(N3CCCC3)n2)c1
InChIInChI=1S/C23H26N4O/c1-28-20-11-7-8-18(16-20)12-13-24-23-25-21(19-9-3-2-4-10-19)17-22(26-23)27-14-5-6-15-27/h2-4,7-11,16-17H,5-6,12-15H2,1H3,(H,24,25,26)
InChIKeyNAMACIVGHONXSH-UHFFFAOYSA-N
XLogP4.41
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.49
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(3-methoxyphenyl)ethyl]-5-piperidin-1-yl-1,2,4-triazin-3-amine
CID 112941842
N-butyl-4-phenyl-6-pyrrolidin-1-ylpyrimidin-2-amine
CID 112933620
4-N-[2-(3-methoxyphenyl)ethyl]-6-phenyl-2-N-propylpyrimidine-2,4-diamine
CID 112932545
4-(azepan-1-yl)-N-butyl-6-phenylpyrimidin-2-amine
CID 112933669
4-N-[2-(dimethylamino)ethyl]-2-N-[2-(3-methoxyphenyl)ethyl]-6-phenylpyrimidine-2,4-diamine
CID 112935811
N-[2-(3-methoxyphenyl)ethyl]-4-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-2-amine
CID 112895248
4-[2-[2-(3-methoxyphenyl)ethylamino]-6-methylpyrimidin-4-yl]piperazine-1-carbaldehyde
CID 112914496
N-[2-(3-methoxyphenyl)ethyl]-5-(4-phenylpiperazin-1-yl)-1,2,4-triazin-3-amine
CID 112954228
4-phenyl-N-(pyridin-4-ylmethyl)-6-pyrrolidin-1-ylpyrimidin-2-amine
CID 112934103
ethyl 4-[2-[2-(3-methoxyphenyl)ethylamino]-6-methylpyrimidin-4-yl]piperazine-1-carboxylate
CID 112921204
N-[2-(4-methoxyphenyl)ethyl]-2-phenyl-6-pyrrolidin-1-ylpyrimidin-4-amine
CID 112879966
N-[(4-fluorophenyl)methyl]-4-phenyl-6-piperidin-1-ylpyrimidin-2-amine
CID 112934497

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methoxyphenyl)ethyl]-4-phenyl-6-pyrrolidin-1-ylpyrimidin-2-amine?
The IUPAC name of N-[2-(3-methoxyphenyl)ethyl]-4-phenyl-6-pyrrolidin-1-ylpyrimidin-2-amine (CID 112934109) is N-[2-(3-methoxyphenyl)ethyl]-4-phenyl-6-pyrrolidin-1-ylpyrimidin-2-amine.
What is the SMILES notation for N-[2-(3-methoxyphenyl)ethyl]-4-phenyl-6-pyrrolidin-1-ylpyrimidin-2-amine?
The canonical SMILES for N-[2-(3-methoxyphenyl)ethyl]-4-phenyl-6-pyrrolidin-1-ylpyrimidin-2-amine is COc1cccc(CCNc2nc(-c3ccccc3)cc(N3CCCC3)n2)c1.
What is the InChIKey of N-[2-(3-methoxyphenyl)ethyl]-4-phenyl-6-pyrrolidin-1-ylpyrimidin-2-amine?
The InChIKey is NAMACIVGHONXSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O/c1-28-20-11-7-8-18(16-20)12-13-24-23-25-21(19-9-3-2-4-10-19)17-22(26-23)27-14-5-6-15-27/h2-4,7-11,16-17H,5-6,12-15H2,1H3,(H,24,25,26).
What are the key properties of N-[2-(3-methoxyphenyl)ethyl]-4-phenyl-6-pyrrolidin-1-ylpyrimidin-2-amine?
N-[2-(3-methoxyphenyl)ethyl]-4-phenyl-6-pyrrolidin-1-ylpyrimidin-2-amine has a molecular weight of 374.49 g/mol, XLogP of 4.41, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-methoxyphenyl)ethyl]-4-phenyl-6-pyrrolidin-1-ylpyrimidin-2-amine is sourced from PubChem (CID 112934109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).