N-(4,6-dimethyl-2-morpholin-4-ylpyrimidin-5-yl)-2-(4-oxoquinazolin-3-yl)acetamide

C20H22N6O3 — CID 122356923

IUPACN-(4,6-dimethyl-2-morpholin-4-ylpyrimidin-5-yl)-2-(4-oxoquinazolin-3-yl)acetamide
SMILESCc1nc(N2CCOCC2)nc(C)c1NC(=O)Cn1cnc2ccccc2c1=O
InChIInChI=1S/C20H22N6O3/c1-13-18(14(2)23-20(22-13)25-7-9-29-10-8-25)24-17(27)11-26-12-21-16-6-4-3-5-15(16)19(26)28/h3-6,12H,7-11H2,1-2H3,(H,24,27)
InChIKeyKEZQDPRMSHDQGY-UHFFFAOYSA-N
MW394.44 g/mol
LogP1.28
Rot. Bonds4

About N-(4,6-dimethyl-2-morpholin-4-ylpyrimidin-5-yl)-2-(4-oxoquinazolin-3-yl)acetamide

N-(4,6-dimethyl-2-morpholin-4-ylpyrimidin-5-yl)-2-(4-oxoquinazolin-3-yl)acetamide (PubChem CID 122356923) has the molecular formula C20H22N6O3 and a molecular weight of 394.44 g/mol. Its IUPAC name is N-(4,6-dimethyl-2-morpholin-4-ylpyrimidin-5-yl)-2-(4-oxoquinazolin-3-yl)acetamide.

Molecular Properties

Compound NameN-(4,6-dimethyl-2-morpholin-4-ylpyrimidin-5-yl)-2-(4-oxoquinazolin-3-yl)acetamide
PubChem CID122356923
Molecular FormulaC20H22N6O3
Molecular Weight394.44 g/mol
Exact Mass394.18
IUPAC NameN-(4,6-dimethyl-2-morpholin-4-ylpyrimidin-5-yl)-2-(4-oxoquinazolin-3-yl)acetamide
SMILESCc1nc(N2CCOCC2)nc(C)c1NC(=O)Cn1cnc2ccccc2c1=O
InChIInChI=1S/C20H22N6O3/c1-13-18(14(2)23-20(22-13)25-7-9-29-10-8-25)24-17(27)11-26-12-21-16-6-4-3-5-15(16)19(26)28/h3-6,12H,7-11H2,1-2H3,(H,24,27)
InChIKeyKEZQDPRMSHDQGY-UHFFFAOYSA-N
XLogP1.28
TPSA102.24 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.44
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-(4,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)-3-(4-oxoquinazolin-3-yl)propanamide
CID 122356666
N-(2-ethoxy-4,6-dimethylpyrimidin-5-yl)-2-(4-oxoquinazolin-3-yl)acetamide
CID 122356084
N-(6-morpholin-4-ylpyrimidin-4-yl)-2-(4-oxoquinazolin-3-yl)acetamide
CID 71794855
N-(3-morpholin-4-ylphenyl)-2-(4-oxoquinazolin-3-yl)acetamide
CID 87042396
N-(4,6-dimethylpyrimidin-2-yl)-2-(4-oxoquinazolin-3-yl)acetamide
CID 155294773
N-(2-morpholin-4-yl-2-oxoethyl)-2-(4-oxoquinazolin-3-yl)acetamide
CID 5073065
N-(5-methyl-1,2-oxazol-3-yl)-2-(4-oxoquinazolin-3-yl)acetamide
CID 3533504
N-[4-(dimethylamino)-2-pyrrolidin-1-ylpyrimidin-5-yl]-2-(4-oxoquinazolin-3-yl)acetamide
CID 122320008
2-(4-oxoquinazolin-3-yl)-N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]acetamide
CID 122353191
N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]-2-(4-oxoquinazolin-3-yl)acetamide
CID 26972821
N-[(1R)-2-morpholin-4-yl-1-phenylethyl]-2-(4-oxoquinazolin-3-yl)acetamide
CID 9149228
N-(3-methylphenyl)-2-(4-oxoquinazolin-3-yl)acetamide
CID 2904511

Frequently Asked Questions

What is the IUPAC name of N-(4,6-dimethyl-2-morpholin-4-ylpyrimidin-5-yl)-2-(4-oxoquinazolin-3-yl)acetamide?
The IUPAC name of N-(4,6-dimethyl-2-morpholin-4-ylpyrimidin-5-yl)-2-(4-oxoquinazolin-3-yl)acetamide (CID 122356923) is N-(4,6-dimethyl-2-morpholin-4-ylpyrimidin-5-yl)-2-(4-oxoquinazolin-3-yl)acetamide.
What is the SMILES notation for N-(4,6-dimethyl-2-morpholin-4-ylpyrimidin-5-yl)-2-(4-oxoquinazolin-3-yl)acetamide?
The canonical SMILES for N-(4,6-dimethyl-2-morpholin-4-ylpyrimidin-5-yl)-2-(4-oxoquinazolin-3-yl)acetamide is Cc1nc(N2CCOCC2)nc(C)c1NC(=O)Cn1cnc2ccccc2c1=O.
What is the InChIKey of N-(4,6-dimethyl-2-morpholin-4-ylpyrimidin-5-yl)-2-(4-oxoquinazolin-3-yl)acetamide?
The InChIKey is KEZQDPRMSHDQGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N6O3/c1-13-18(14(2)23-20(22-13)25-7-9-29-10-8-25)24-17(27)11-26-12-21-16-6-4-3-5-15(16)19(26)28/h3-6,12H,7-11H2,1-2H3,(H,24,27).
What are the key properties of N-(4,6-dimethyl-2-morpholin-4-ylpyrimidin-5-yl)-2-(4-oxoquinazolin-3-yl)acetamide?
N-(4,6-dimethyl-2-morpholin-4-ylpyrimidin-5-yl)-2-(4-oxoquinazolin-3-yl)acetamide has a molecular weight of 394.44 g/mol, XLogP of 1.28, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,6-dimethyl-2-morpholin-4-ylpyrimidin-5-yl)-2-(4-oxoquinazolin-3-yl)acetamide is sourced from PubChem (CID 122356923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).