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

C23H26N4O — CID 112879966

IUPACN-[2-(4-methoxyphenyl)ethyl]-2-phenyl-6-pyrrolidin-1-ylpyrimidin-4-amine
SMILESCOc1ccc(CCNc2cc(N3CCCC3)nc(-c3ccccc3)n2)cc1
InChIInChI=1S/C23H26N4O/c1-28-20-11-9-18(10-12-20)13-14-24-21-17-22(27-15-5-6-16-27)26-23(25-21)19-7-3-2-4-8-19/h2-4,7-12,17H,5-6,13-16H2,1H3,(H,24,25,26)
InChIKeyOISRJGMQLXBPKU-UHFFFAOYSA-N
MW374.49 g/mol
LogP4.41
Rot. Bonds7

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

N-[2-(4-methoxyphenyl)ethyl]-2-phenyl-6-pyrrolidin-1-ylpyrimidin-4-amine (PubChem CID 112879966) has the molecular formula C23H26N4O and a molecular weight of 374.49 g/mol. Its IUPAC name is N-[2-(4-methoxyphenyl)ethyl]-2-phenyl-6-pyrrolidin-1-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[2-(4-methoxyphenyl)ethyl]-2-phenyl-6-pyrrolidin-1-ylpyrimidin-4-amine
PubChem CID112879966
Molecular FormulaC23H26N4O
Molecular Weight374.49 g/mol
Exact Mass374.21
IUPAC NameN-[2-(4-methoxyphenyl)ethyl]-2-phenyl-6-pyrrolidin-1-ylpyrimidin-4-amine
SMILESCOc1ccc(CCNc2cc(N3CCCC3)nc(-c3ccccc3)n2)cc1
InChIInChI=1S/C23H26N4O/c1-28-20-11-9-18(10-12-20)13-14-24-21-17-22(27-15-5-6-16-27)26-23(25-21)19-7-3-2-4-8-19/h2-4,7-12,17H,5-6,13-16H2,1H3,(H,24,25,26)
InChIKeyOISRJGMQLXBPKU-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-[(4-methoxyphenyl)methyl]-6-(4-methylpiperazin-1-yl)-2-phenylpyrimidin-4-amine
CID 112880936
4-N-cyclopropyl-6-N-[2-(4-methoxyphenyl)ethyl]-2-phenylpyrimidine-4,6-diamine
CID 112879467
4-N-tert-butyl-6-N-[2-(4-methoxyphenyl)ethyl]-2-phenylpyrimidine-4,6-diamine
CID 112881490
N-(2,5-dimethoxyphenyl)-2-phenyl-6-piperidin-1-ylpyrimidin-4-amine
CID 112880134
6-(azepan-1-yl)-N-(2-methylpropyl)-2-phenylpyrimidin-4-amine
CID 112879821
N-[(4-methoxyphenyl)methyl]-2-phenyl-6-pyrrolidin-1-ylpyrimidine-4-carboxamide
CID 112852647
N-[2-(4-methoxyphenyl)ethyl]-2-methyl-6-(4-methylpiperidin-1-yl)pyrimidin-4-amine
CID 112869178
N-[2-(3-methoxyphenyl)ethyl]-4-phenyl-6-pyrrolidin-1-ylpyrimidin-2-amine
CID 112934109
N-[2-(3-chlorophenyl)ethyl]-6-morpholin-4-yl-2-phenylpyrimidin-4-amine
CID 112880538
2-phenyl-6-piperidin-1-yl-N-propan-2-ylpyrimidin-4-amine
CID 112879295
N-[2-(4-methoxyphenoxy)ethyl]-2-methyl-6-pyrrolidin-1-ylpyrimidin-4-amine
CID 112868473
N-butan-2-yl-2-phenyl-6-pyrrolidin-1-ylpyrimidin-4-amine
CID 112879854

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyphenyl)ethyl]-2-phenyl-6-pyrrolidin-1-ylpyrimidin-4-amine?
The IUPAC name of N-[2-(4-methoxyphenyl)ethyl]-2-phenyl-6-pyrrolidin-1-ylpyrimidin-4-amine (CID 112879966) is N-[2-(4-methoxyphenyl)ethyl]-2-phenyl-6-pyrrolidin-1-ylpyrimidin-4-amine.
What is the SMILES notation for N-[2-(4-methoxyphenyl)ethyl]-2-phenyl-6-pyrrolidin-1-ylpyrimidin-4-amine?
The canonical SMILES for N-[2-(4-methoxyphenyl)ethyl]-2-phenyl-6-pyrrolidin-1-ylpyrimidin-4-amine is COc1ccc(CCNc2cc(N3CCCC3)nc(-c3ccccc3)n2)cc1.
What is the InChIKey of N-[2-(4-methoxyphenyl)ethyl]-2-phenyl-6-pyrrolidin-1-ylpyrimidin-4-amine?
The InChIKey is OISRJGMQLXBPKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O/c1-28-20-11-9-18(10-12-20)13-14-24-21-17-22(27-15-5-6-16-27)26-23(25-21)19-7-3-2-4-8-19/h2-4,7-12,17H,5-6,13-16H2,1H3,(H,24,25,26).
What are the key properties of N-[2-(4-methoxyphenyl)ethyl]-2-phenyl-6-pyrrolidin-1-ylpyrimidin-4-amine?
N-[2-(4-methoxyphenyl)ethyl]-2-phenyl-6-pyrrolidin-1-ylpyrimidin-4-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-(4-methoxyphenyl)ethyl]-2-phenyl-6-pyrrolidin-1-ylpyrimidin-4-amine is sourced from PubChem (CID 112879966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).