2-[2-[2-(dimethylamino)-5-(4-methoxyphenyl)pyrimidin-4-yl]morpholin-4-yl]-N,N-diethylacetamide

C23H33N5O3 — CID 127248750

IUPAC2-[2-[2-(dimethylamino)-5-(4-methoxyphenyl)pyrimidin-4-yl]morpholin-4-yl]-N,N-diethylacetamide
SMILESCCN(CC)C(=O)CN1CCOC(c2nc(N(C)C)ncc2-c2ccc(OC)cc2)C1
InChIInChI=1S/C23H33N5O3/c1-6-28(7-2)21(29)16-27-12-13-31-20(15-27)22-19(14-24-23(25-22)26(3)4)17-8-10-18(30-5)11-9-17/h8-11,14,20H,6-7,12-13,15-16H2,1-5H3
InChIKeyLUQVANKOALXOIX-UHFFFAOYSA-N
MW427.55 g/mol
LogP2.46
Rot. Bonds8

About 2-[2-[2-(dimethylamino)-5-(4-methoxyphenyl)pyrimidin-4-yl]morpholin-4-yl]-N,N-diethylacetamide

2-[2-[2-(dimethylamino)-5-(4-methoxyphenyl)pyrimidin-4-yl]morpholin-4-yl]-N,N-diethylacetamide (PubChem CID 127248750) has the molecular formula C23H33N5O3 and a molecular weight of 427.55 g/mol. Its IUPAC name is 2-[2-[2-(dimethylamino)-5-(4-methoxyphenyl)pyrimidin-4-yl]morpholin-4-yl]-N,N-diethylacetamide.

Molecular Properties

Compound Name2-[2-[2-(dimethylamino)-5-(4-methoxyphenyl)pyrimidin-4-yl]morpholin-4-yl]-N,N-diethylacetamide
PubChem CID127248750
Molecular FormulaC23H33N5O3
Molecular Weight427.55 g/mol
Exact Mass427.26
IUPAC Name2-[2-[2-(dimethylamino)-5-(4-methoxyphenyl)pyrimidin-4-yl]morpholin-4-yl]-N,N-diethylacetamide
SMILESCCN(CC)C(=O)CN1CCOC(c2nc(N(C)C)ncc2-c2ccc(OC)cc2)C1
InChIInChI=1S/C23H33N5O3/c1-6-28(7-2)21(29)16-27-12-13-31-20(15-27)22-19(14-24-23(25-22)26(3)4)17-8-10-18(30-5)11-9-17/h8-11,14,20H,6-7,12-13,15-16H2,1-5H3
InChIKeyLUQVANKOALXOIX-UHFFFAOYSA-N
XLogP2.46
TPSA71.03 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.55
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

4-[4-[(1,3-dimethylpyrazol-4-yl)methyl]morpholin-2-yl]-5-(4-methoxyphenyl)-N,N-dimethylpyrimidin-2-amine
CID 127248806
[2-[2-(dimethylamino)-5-(4-methoxyphenyl)pyrimidin-4-yl]morpholin-4-yl]-(3-ethyl-1,2-oxazol-5-yl)methanone
CID 127248844
2-[2-[2-(dimethylamino)-5-(3-fluorophenyl)pyrimidin-4-yl]morpholin-4-yl]-1-pyrrolidin-1-ylethanone
CID 127248753
N,N-diethyl-2-[2-[4-(4-methoxyanilino)-6-methyl-2-pyridinyl]morpholin-4-yl]acetamide
CID 175656550
3-[4-[4-[2-(azetidin-1-yl)-2-oxoethyl]morpholin-2-yl]-2-(dimethylamino)pyrimidin-5-yl]benzamide
CID 127248883
[2-[2-(dimethylamino)-5-(4-fluorophenyl)pyrimidin-4-yl]morpholin-4-yl]-(1-ethylpyrazol-3-yl)methanone
CID 127248845
1-[2-[2-(dimethylamino)-5-(4-methoxyphenyl)pyrimidin-4-yl]piperidin-1-yl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)ethanone
CID 110266370
1-[2-[2-[2-(dimethylamino)-5-(4-fluorophenyl)pyrimidin-4-yl]morpholin-4-yl]-2-oxoethyl]pyrimidin-2-one
CID 127248840
4-[6-[(2R)-4-[2-(diethylamino)-2-oxoethyl]morpholin-2-yl]-2-pyridinyl]benzamide
CID 125019777
1-[(2R)-2-[2-(dimethylamino)-5-pyridin-4-ylpyrimidin-4-yl]piperidin-1-yl]-2-(4-methoxyphenyl)ethanone
CID 92607197
[(2R)-2-[2-(dimethylamino)-5-(4-methoxyphenyl)pyrimidin-4-yl]piperidin-1-yl]-(1,5-dimethylpyrazol-4-yl)methanone
CID 92617753
4-[1-[(1,3-dimethylpyrazol-4-yl)methyl]pyrrolidin-3-yl]-5-(4-methoxyphenyl)-N,N-dimethylpyrimidin-2-amine
CID 127248675

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(dimethylamino)-5-(4-methoxyphenyl)pyrimidin-4-yl]morpholin-4-yl]-N,N-diethylacetamide?
The IUPAC name of 2-[2-[2-(dimethylamino)-5-(4-methoxyphenyl)pyrimidin-4-yl]morpholin-4-yl]-N,N-diethylacetamide (CID 127248750) is 2-[2-[2-(dimethylamino)-5-(4-methoxyphenyl)pyrimidin-4-yl]morpholin-4-yl]-N,N-diethylacetamide.
What is the SMILES notation for 2-[2-[2-(dimethylamino)-5-(4-methoxyphenyl)pyrimidin-4-yl]morpholin-4-yl]-N,N-diethylacetamide?
The canonical SMILES for 2-[2-[2-(dimethylamino)-5-(4-methoxyphenyl)pyrimidin-4-yl]morpholin-4-yl]-N,N-diethylacetamide is CCN(CC)C(=O)CN1CCOC(c2nc(N(C)C)ncc2-c2ccc(OC)cc2)C1.
What is the InChIKey of 2-[2-[2-(dimethylamino)-5-(4-methoxyphenyl)pyrimidin-4-yl]morpholin-4-yl]-N,N-diethylacetamide?
The InChIKey is LUQVANKOALXOIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N5O3/c1-6-28(7-2)21(29)16-27-12-13-31-20(15-27)22-19(14-24-23(25-22)26(3)4)17-8-10-18(30-5)11-9-17/h8-11,14,20H,6-7,12-13,15-16H2,1-5H3.
What are the key properties of 2-[2-[2-(dimethylamino)-5-(4-methoxyphenyl)pyrimidin-4-yl]morpholin-4-yl]-N,N-diethylacetamide?
2-[2-[2-(dimethylamino)-5-(4-methoxyphenyl)pyrimidin-4-yl]morpholin-4-yl]-N,N-diethylacetamide has a molecular weight of 427.55 g/mol, XLogP of 2.46, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(dimethylamino)-5-(4-methoxyphenyl)pyrimidin-4-yl]morpholin-4-yl]-N,N-diethylacetamide is sourced from PubChem (CID 127248750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).