N-[4-(morpholin-4-ylmethyl)phenyl]-6-phenylpyrimidin-4-amine

C21H22N4O — CID 108773217

IUPACN-[4-(morpholin-4-ylmethyl)phenyl]-6-phenylpyrimidin-4-amine
SMILESc1ccc(-c2cc(Nc3ccc(CN4CCOCC4)cc3)ncn2)cc1
InChIInChI=1S/C21H22N4O/c1-2-4-18(5-3-1)20-14-21(23-16-22-20)24-19-8-6-17(7-9-19)15-25-10-12-26-13-11-25/h1-9,14,16H,10-13,15H2,(H,22,23,24)
InChIKeyBCBHYJUKCBLREG-UHFFFAOYSA-N
MW346.43 g/mol
LogP3.72
Rot. Bonds5

About N-[4-(morpholin-4-ylmethyl)phenyl]-6-phenylpyrimidin-4-amine

N-[4-(morpholin-4-ylmethyl)phenyl]-6-phenylpyrimidin-4-amine (PubChem CID 108773217) has the molecular formula C21H22N4O and a molecular weight of 346.43 g/mol. Its IUPAC name is N-[4-(morpholin-4-ylmethyl)phenyl]-6-phenylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[4-(morpholin-4-ylmethyl)phenyl]-6-phenylpyrimidin-4-amine
PubChem CID108773217
Molecular FormulaC21H22N4O
Molecular Weight346.43 g/mol
Exact Mass346.18
IUPAC NameN-[4-(morpholin-4-ylmethyl)phenyl]-6-phenylpyrimidin-4-amine
SMILESc1ccc(-c2cc(Nc3ccc(CN4CCOCC4)cc3)ncn2)cc1
InChIInChI=1S/C21H22N4O/c1-2-4-18(5-3-1)20-14-21(23-16-22-20)24-19-8-6-17(7-9-19)15-25-10-12-26-13-11-25/h1-9,14,16H,10-13,15H2,(H,22,23,24)
InChIKeyBCBHYJUKCBLREG-UHFFFAOYSA-N
XLogP3.72
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-N-[4-(morpholin-4-ylmethyl)phenyl]-6-phenylpyrimidin-4-amine
CID 108773218
6-methyl-N-[4-(morpholin-4-ylmethyl)phenyl]pyrimidin-4-amine
CID 108773215
N-cyclopentyl-1-[4-[[6-[3-(morpholin-4-ylmethyl)phenyl]pyrimidin-4-yl]amino]phenyl]methanesulfonamide
CID 25101583
N-(3-morpholin-4-ylpropyl)-3-[(6-phenylpyrimidin-4-yl)amino]benzamide
CID 50783731
N-(4-bromophenyl)-6-phenylpyrimidin-4-amine
CID 16876814
4-N-ethyl-4-N-[2-(2-morpholin-4-ylethylamino)ethyl]-1-N-[6-(3-phenylphenyl)pyrimidin-4-yl]benzene-1,4-diamine
CID 11398317
4-[(6-phenylpyrimidin-4-yl)amino]benzoic acid
CID 1408950
1-N-(6-methylpyrimidin-4-yl)-4-N-(6-phenylpyrimidin-4-yl)benzene-1,4-diamine
CID 108773977
4-[(6-phenylpyrimidin-4-yl)amino]benzoic acid;hydrochloride
CID 16876551
N-(4-phenoxyphenyl)-6-phenylpyrimidin-4-amine
CID 117089637
N-[4-(morpholin-4-ylmethyl)phenyl]-2-naphthalen-2-ylquinolin-4-amine
CID 100970631
N-[4-(morpholin-4-ylmethyl)phenyl]-6-(3-nitrophenyl)pyridazin-3-amine
CID 108773204

Frequently Asked Questions

What is the IUPAC name of N-[4-(morpholin-4-ylmethyl)phenyl]-6-phenylpyrimidin-4-amine?
The IUPAC name of N-[4-(morpholin-4-ylmethyl)phenyl]-6-phenylpyrimidin-4-amine (CID 108773217) is N-[4-(morpholin-4-ylmethyl)phenyl]-6-phenylpyrimidin-4-amine.
What is the SMILES notation for N-[4-(morpholin-4-ylmethyl)phenyl]-6-phenylpyrimidin-4-amine?
The canonical SMILES for N-[4-(morpholin-4-ylmethyl)phenyl]-6-phenylpyrimidin-4-amine is c1ccc(-c2cc(Nc3ccc(CN4CCOCC4)cc3)ncn2)cc1.
What is the InChIKey of N-[4-(morpholin-4-ylmethyl)phenyl]-6-phenylpyrimidin-4-amine?
The InChIKey is BCBHYJUKCBLREG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O/c1-2-4-18(5-3-1)20-14-21(23-16-22-20)24-19-8-6-17(7-9-19)15-25-10-12-26-13-11-25/h1-9,14,16H,10-13,15H2,(H,22,23,24).
What are the key properties of N-[4-(morpholin-4-ylmethyl)phenyl]-6-phenylpyrimidin-4-amine?
N-[4-(morpholin-4-ylmethyl)phenyl]-6-phenylpyrimidin-4-amine has a molecular weight of 346.43 g/mol, XLogP of 3.72, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(morpholin-4-ylmethyl)phenyl]-6-phenylpyrimidin-4-amine is sourced from PubChem (CID 108773217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).