N-(2,4-dimethoxyphenyl)-6-morpholin-4-yl-2-phenylpyrimidin-4-amine

C22H24N4O3 — CID 112880580

IUPACN-(2,4-dimethoxyphenyl)-6-morpholin-4-yl-2-phenylpyrimidin-4-amine
SMILESCOc1ccc(Nc2cc(N3CCOCC3)nc(-c3ccccc3)n2)c(OC)c1
InChIInChI=1S/C22H24N4O3/c1-27-17-8-9-18(19(14-17)28-2)23-20-15-21(26-10-12-29-13-11-26)25-22(24-20)16-6-4-3-5-7-16/h3-9,14-15H,10-13H2,1-2H3,(H,23,24,25)
InChIKeyXXRPYQKBHBWHMF-UHFFFAOYSA-N
MW392.46 g/mol
LogP3.74
Rot. Bonds6

About N-(2,4-dimethoxyphenyl)-6-morpholin-4-yl-2-phenylpyrimidin-4-amine

N-(2,4-dimethoxyphenyl)-6-morpholin-4-yl-2-phenylpyrimidin-4-amine (PubChem CID 112880580) has the molecular formula C22H24N4O3 and a molecular weight of 392.46 g/mol. Its IUPAC name is N-(2,4-dimethoxyphenyl)-6-morpholin-4-yl-2-phenylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(2,4-dimethoxyphenyl)-6-morpholin-4-yl-2-phenylpyrimidin-4-amine
PubChem CID112880580
Molecular FormulaC22H24N4O3
Molecular Weight392.46 g/mol
Exact Mass392.18
IUPAC NameN-(2,4-dimethoxyphenyl)-6-morpholin-4-yl-2-phenylpyrimidin-4-amine
SMILESCOc1ccc(Nc2cc(N3CCOCC3)nc(-c3ccccc3)n2)c(OC)c1
InChIInChI=1S/C22H24N4O3/c1-27-17-8-9-18(19(14-17)28-2)23-20-15-21(26-10-12-29-13-11-26)25-22(24-20)16-6-4-3-5-7-16/h3-9,14-15H,10-13H2,1-2H3,(H,23,24,25)
InChIKeyXXRPYQKBHBWHMF-UHFFFAOYSA-N
XLogP3.74
TPSA68.74 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(2,5-dimethoxyphenyl)-2-phenyl-6-piperidin-1-ylpyrimidin-4-amine
CID 112880134
N-(3,4-dimethoxyphenyl)-6-morpholin-4-yl-2-phenylpyrimidin-4-amine
CID 112880581
N-(3-chloro-4-methoxyphenyl)-6-morpholin-4-yl-2-phenylpyrimidin-4-amine
CID 112880572
N-(2-ethylphenyl)-6-morpholin-4-yl-2-phenylpyrimidin-4-amine
CID 112880553
6-morpholin-4-yl-2-phenyl-N-(2-propan-2-ylphenyl)pyrimidin-4-amine
CID 112880557
N-[(2-methoxyphenyl)methyl]-6-morpholin-4-yl-2-phenylpyrimidin-4-amine
CID 112880506
N-(2-methoxyphenyl)-2-methyl-6-morpholin-4-ylpyrimidin-4-amine
CID 112869929
N-(2,4-dimethoxyphenyl)-4-methyl-6-morpholin-4-ylpyrimidin-2-amine
CID 112912177
N-(4-methylphenyl)-6-morpholin-4-yl-2-phenylpyrimidin-4-amine
CID 112880543
N-cyclopropyl-6-morpholin-4-yl-2-phenylpyrimidin-4-amine
CID 112879434
6-morpholin-4-yl-2-phenyl-N-(4-propan-2-ylphenyl)pyrimidin-4-amine
CID 112880558
6-N-butyl-4-N-(2,4-dimethoxyphenyl)-2-phenylpyrimidine-4,6-diamine
CID 112879752

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethoxyphenyl)-6-morpholin-4-yl-2-phenylpyrimidin-4-amine?
The IUPAC name of N-(2,4-dimethoxyphenyl)-6-morpholin-4-yl-2-phenylpyrimidin-4-amine (CID 112880580) is N-(2,4-dimethoxyphenyl)-6-morpholin-4-yl-2-phenylpyrimidin-4-amine.
What is the SMILES notation for N-(2,4-dimethoxyphenyl)-6-morpholin-4-yl-2-phenylpyrimidin-4-amine?
The canonical SMILES for N-(2,4-dimethoxyphenyl)-6-morpholin-4-yl-2-phenylpyrimidin-4-amine is COc1ccc(Nc2cc(N3CCOCC3)nc(-c3ccccc3)n2)c(OC)c1.
What is the InChIKey of N-(2,4-dimethoxyphenyl)-6-morpholin-4-yl-2-phenylpyrimidin-4-amine?
The InChIKey is XXRPYQKBHBWHMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O3/c1-27-17-8-9-18(19(14-17)28-2)23-20-15-21(26-10-12-29-13-11-26)25-22(24-20)16-6-4-3-5-7-16/h3-9,14-15H,10-13H2,1-2H3,(H,23,24,25).
What are the key properties of N-(2,4-dimethoxyphenyl)-6-morpholin-4-yl-2-phenylpyrimidin-4-amine?
N-(2,4-dimethoxyphenyl)-6-morpholin-4-yl-2-phenylpyrimidin-4-amine has a molecular weight of 392.46 g/mol, XLogP of 3.74, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethoxyphenyl)-6-morpholin-4-yl-2-phenylpyrimidin-4-amine is sourced from PubChem (CID 112880580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).