N-benzyl-2-morpholin-4-yl-6-phenylpyrimidin-4-amine

C21H22N4O — CID 112935485

IUPACN-benzyl-2-morpholin-4-yl-6-phenylpyrimidin-4-amine
SMILESc1ccc(CNc2cc(-c3ccccc3)nc(N3CCOCC3)n2)cc1
InChIInChI=1S/C21H22N4O/c1-3-7-17(8-4-1)16-22-20-15-19(18-9-5-2-6-10-18)23-21(24-20)25-11-13-26-14-12-25/h1-10,15H,11-14,16H2,(H,22,23,24)
InChIKeyRYYWLCMLQGLHRQ-UHFFFAOYSA-N
MW346.43 g/mol
LogP3.59
Rot. Bonds5

About N-benzyl-2-morpholin-4-yl-6-phenylpyrimidin-4-amine

N-benzyl-2-morpholin-4-yl-6-phenylpyrimidin-4-amine (PubChem CID 112935485) has the molecular formula C21H22N4O and a molecular weight of 346.43 g/mol. Its IUPAC name is N-benzyl-2-morpholin-4-yl-6-phenylpyrimidin-4-amine.

Molecular Properties

Compound NameN-benzyl-2-morpholin-4-yl-6-phenylpyrimidin-4-amine
PubChem CID112935485
Molecular FormulaC21H22N4O
Molecular Weight346.43 g/mol
Exact Mass346.18
IUPAC NameN-benzyl-2-morpholin-4-yl-6-phenylpyrimidin-4-amine
SMILESc1ccc(CNc2cc(-c3ccccc3)nc(N3CCOCC3)n2)cc1
InChIInChI=1S/C21H22N4O/c1-3-7-17(8-4-1)16-22-20-15-19(18-9-5-2-6-10-18)23-21(24-20)25-11-13-26-14-12-25/h1-10,15H,11-14,16H2,(H,22,23,24)
InChIKeyRYYWLCMLQGLHRQ-UHFFFAOYSA-N
XLogP3.59
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 ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Gdc-0349
CID 59239165
Revaprazan
CID 204104
4-(Morpholin-4-Yl)-6-[4-(Trifluoromethyl)phenyl]pyrimidin-2-Amine
CID 75815439
6-ethyl-5-[(2S)-1-(3-methoxypropyl)-2-phenyl-1,2,3,4-tetrahydroquinolin-7-yl]pyrimidine-2,4-diamine
CID 11963546
5-(4-(Dimethylamino)phenyl)-6-(6-morpholin-4-ylpyridin-3-ylethynyl)pyrimidin-4-ylamine
CID 11987868
4-Amino-2,6-diphenylpyrimidine
CID 619020
2-N-benzyl-4-N-butyl-6-methylpyrimidine-2,4-diamine
CID 659917
N2,N4-dibenzyl-6-methyl-pyrimidine-2,4-diamine
CID 697225
4-(4-Morpholinyl)-2-phenylquinazoline
CID 675225
N2-benzyl-N4-cyclohexyl-6-methylpyrimidine-2,4-diamine
CID 697226
N~2~-benzyl-N~4~-(3-fluorophenyl)-6-methyl-2,4-pyrimidinediamine
CID 697239
N~2~-benzyl-6-methyl-N~4~-(4-methylphenyl)-2,4-pyrimidinediamine
CID 721060

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-morpholin-4-yl-6-phenylpyrimidin-4-amine?
The IUPAC name of N-benzyl-2-morpholin-4-yl-6-phenylpyrimidin-4-amine (CID 112935485) is N-benzyl-2-morpholin-4-yl-6-phenylpyrimidin-4-amine.
What is the SMILES notation for N-benzyl-2-morpholin-4-yl-6-phenylpyrimidin-4-amine?
The canonical SMILES for N-benzyl-2-morpholin-4-yl-6-phenylpyrimidin-4-amine is c1ccc(CNc2cc(-c3ccccc3)nc(N3CCOCC3)n2)cc1.
What is the InChIKey of N-benzyl-2-morpholin-4-yl-6-phenylpyrimidin-4-amine?
The InChIKey is RYYWLCMLQGLHRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O/c1-3-7-17(8-4-1)16-22-20-15-19(18-9-5-2-6-10-18)23-21(24-20)25-11-13-26-14-12-25/h1-10,15H,11-14,16H2,(H,22,23,24).
What are the key properties of N-benzyl-2-morpholin-4-yl-6-phenylpyrimidin-4-amine?
N-benzyl-2-morpholin-4-yl-6-phenylpyrimidin-4-amine has a molecular weight of 346.43 g/mol, XLogP of 3.59, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-morpholin-4-yl-6-phenylpyrimidin-4-amine is sourced from PubChem (CID 112935485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).