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

C23H26N4O — CID 112935382

IUPACN-benzyl-N-ethyl-4-morpholin-4-yl-6-phenylpyrimidin-2-amine
SMILESCCN(Cc1ccccc1)c1nc(-c2ccccc2)cc(N2CCOCC2)n1
InChIInChI=1S/C23H26N4O/c1-2-26(18-19-9-5-3-6-10-19)23-24-21(20-11-7-4-8-12-20)17-22(25-23)27-13-15-28-16-14-27/h3-12,17H,2,13-16,18H2,1H3
InChIKeyPZVCRDSNKANUPT-UHFFFAOYSA-N
MW374.49 g/mol
LogP4.01
Rot. Bonds6

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

N-benzyl-N-ethyl-4-morpholin-4-yl-6-phenylpyrimidin-2-amine (PubChem CID 112935382) has the molecular formula C23H26N4O and a molecular weight of 374.49 g/mol. Its IUPAC name is N-benzyl-N-ethyl-4-morpholin-4-yl-6-phenylpyrimidin-2-amine.

Molecular Properties

Compound NameN-benzyl-N-ethyl-4-morpholin-4-yl-6-phenylpyrimidin-2-amine
PubChem CID112935382
Molecular FormulaC23H26N4O
Molecular Weight374.49 g/mol
Exact Mass374.21
IUPAC NameN-benzyl-N-ethyl-4-morpholin-4-yl-6-phenylpyrimidin-2-amine
SMILESCCN(Cc1ccccc1)c1nc(-c2ccccc2)cc(N2CCOCC2)n1
InChIInChI=1S/C23H26N4O/c1-2-26(18-19-9-5-3-6-10-19)23-24-21(20-11-7-4-8-12-20)17-22(25-23)27-13-15-28-16-14-27/h3-12,17H,2,13-16,18H2,1H3
InChIKeyPZVCRDSNKANUPT-UHFFFAOYSA-N
XLogP4.01
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.49
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-benzyl-N-ethyl-4-phenyl-6-piperidin-1-ylpyrimidin-2-amine
CID 112934501
N-methyl-4-morpholin-4-yl-N,6-diphenylpyrimidin-2-amine
CID 112935415
N,N-diethyl-6-morpholin-4-yl-2-phenylpyrimidin-4-amine
CID 112880527
N-benzyl-N-(1,3-dioxol-4-yl)-4-(4-fluorophenyl)-6-morpholin-4-ylpyrimidin-2-amine
CID 68648109
N-ethyl-N,4-diphenyl-6-pyrrolidin-1-ylpyrimidin-2-amine
CID 112934155
2-N-benzyl-4-N-cyclopropyl-2-N-ethyl-6-phenylpyrimidine-2,4-diamine
CID 112932954
N-benzyl-N-ethyl-4-piperidin-1-ylpyrimidin-2-amine
CID 112884459
N-[(4-chlorophenyl)methyl]-4-morpholin-4-yl-6-phenylpyrimidin-2-amine
CID 112935378
N-benzyl-N-ethyl-4-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-2-amine
CID 112893045
N-butyl-N-methyl-4-phenyl-6-pyrrolidin-1-ylpyrimidin-2-amine
CID 112934134
N-benzyl-4-(3,4-dihydro-1H-isoquinolin-2-yl)-N-ethyl-6-methylpyrimidin-2-amine
CID 112918985
4-(4-morpholin-4-yl-6-phenylpyrimidin-2-yl)piperazine-1-carbaldehyde
CID 112935367

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-ethyl-4-morpholin-4-yl-6-phenylpyrimidin-2-amine?
The IUPAC name of N-benzyl-N-ethyl-4-morpholin-4-yl-6-phenylpyrimidin-2-amine (CID 112935382) is N-benzyl-N-ethyl-4-morpholin-4-yl-6-phenylpyrimidin-2-amine.
What is the SMILES notation for N-benzyl-N-ethyl-4-morpholin-4-yl-6-phenylpyrimidin-2-amine?
The canonical SMILES for N-benzyl-N-ethyl-4-morpholin-4-yl-6-phenylpyrimidin-2-amine is CCN(Cc1ccccc1)c1nc(-c2ccccc2)cc(N2CCOCC2)n1.
What is the InChIKey of N-benzyl-N-ethyl-4-morpholin-4-yl-6-phenylpyrimidin-2-amine?
The InChIKey is PZVCRDSNKANUPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O/c1-2-26(18-19-9-5-3-6-10-19)23-24-21(20-11-7-4-8-12-20)17-22(25-23)27-13-15-28-16-14-27/h3-12,17H,2,13-16,18H2,1H3.
What are the key properties of N-benzyl-N-ethyl-4-morpholin-4-yl-6-phenylpyrimidin-2-amine?
N-benzyl-N-ethyl-4-morpholin-4-yl-6-phenylpyrimidin-2-amine has a molecular weight of 374.49 g/mol, XLogP of 4.01, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-ethyl-4-morpholin-4-yl-6-phenylpyrimidin-2-amine is sourced from PubChem (CID 112935382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).