[4-(dimethylamino)-2-[[4-[(4-methoxybenzoyl)amino]phenyl]methyl]pyrimidin-5-yl] acetate

C23H24N4O4 — CID 91331900

IUPAC[4-(dimethylamino)-2-[[4-[(4-methoxybenzoyl)amino]phenyl]methyl]pyrimidin-5-yl] acetate
SMILESCOc1ccc(C(=O)Nc2ccc(Cc3ncc(OC(C)=O)c(N(C)C)n3)cc2)cc1
InChIInChI=1S/C23H24N4O4/c1-15(28)31-20-14-24-21(26-22(20)27(2)3)13-16-5-9-18(10-6-16)25-23(29)17-7-11-19(30-4)12-8-17/h5-12,14H,13H2,1-4H3,(H,25,29)
InChIKeyKRYVVLLVZGOYJT-UHFFFAOYSA-N
MW420.47 g/mol
LogP3.32
Rot. Bonds7

About [4-(dimethylamino)-2-[[4-[(4-methoxybenzoyl)amino]phenyl]methyl]pyrimidin-5-yl] acetate

[4-(dimethylamino)-2-[[4-[(4-methoxybenzoyl)amino]phenyl]methyl]pyrimidin-5-yl] acetate (PubChem CID 91331900) has the molecular formula C23H24N4O4 and a molecular weight of 420.47 g/mol. Its IUPAC name is [4-(dimethylamino)-2-[[4-[(4-methoxybenzoyl)amino]phenyl]methyl]pyrimidin-5-yl] acetate.

Molecular Properties

Compound Name[4-(dimethylamino)-2-[[4-[(4-methoxybenzoyl)amino]phenyl]methyl]pyrimidin-5-yl] acetate
PubChem CID91331900
Molecular FormulaC23H24N4O4
Molecular Weight420.47 g/mol
Exact Mass420.18
IUPAC Name[4-(dimethylamino)-2-[[4-[(4-methoxybenzoyl)amino]phenyl]methyl]pyrimidin-5-yl] acetate
SMILESCOc1ccc(C(=O)Nc2ccc(Cc3ncc(OC(C)=O)c(N(C)C)n3)cc2)cc1
InChIInChI=1S/C23H24N4O4/c1-15(28)31-20-14-24-21(26-22(20)27(2)3)13-16-5-9-18(10-6-16)25-23(29)17-7-11-19(30-4)12-8-17/h5-12,14H,13H2,1-4H3,(H,25,29)
InChIKeyKRYVVLLVZGOYJT-UHFFFAOYSA-N
XLogP3.32
TPSA93.65 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.47
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-[3-(3-Benzyloxy-pyridin-2-yl)-ureido]-benzamide
CID 11574097
3-[3-(3-Benzyloxy-pyridin-2-yl)-ureido]-benzamide
CID 11639129
Pyrido[2,3-d]pyrimidin-7-one deriv. 28
CID 5328641
2-(4-(2-diethylaminoethoxy)phenylamino)-8-ethyl-6-phenyl-8H-pyrido(2,3-d)pyrimidin-7-one
CID 5328650
3-({4-[(5-Methoxy-2-methylphenyl)amino]pyrimidin-2-yl}amino)benzamide
CID 25138023
Bisanilinopyrimidine, 6e
CID 70702136
N-[4-[3-(dimethylamino)propoxy]phenyl]-4-methoxy-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzamide
CID 71603113
2-[(4-methoxybenzoyl)amino]-N-(2-pyridinyl)benzamide
CID 759561
4-Methoxy-N-(5-phenylacetylamino-pyridin-2-yl)-benzamide
CID 1452908
Phenol, 4-(4-(dimethoxymethyl)-2-pyrimidinyl)-, 1-benzoate
CID 1491164
Ethyl 4-[(3-benzyloxy-2-pyridyl)carbamoylamino]benzoate
CID 11516665
Ethyl 3-[(3-benzyloxy-2-pyridyl)carbamoylamino]benzoate
CID 11531251

Frequently Asked Questions

What is the IUPAC name of [4-(dimethylamino)-2-[[4-[(4-methoxybenzoyl)amino]phenyl]methyl]pyrimidin-5-yl] acetate?
The IUPAC name of [4-(dimethylamino)-2-[[4-[(4-methoxybenzoyl)amino]phenyl]methyl]pyrimidin-5-yl] acetate (CID 91331900) is [4-(dimethylamino)-2-[[4-[(4-methoxybenzoyl)amino]phenyl]methyl]pyrimidin-5-yl] acetate.
What is the SMILES notation for [4-(dimethylamino)-2-[[4-[(4-methoxybenzoyl)amino]phenyl]methyl]pyrimidin-5-yl] acetate?
The canonical SMILES for [4-(dimethylamino)-2-[[4-[(4-methoxybenzoyl)amino]phenyl]methyl]pyrimidin-5-yl] acetate is COc1ccc(C(=O)Nc2ccc(Cc3ncc(OC(C)=O)c(N(C)C)n3)cc2)cc1.
What is the InChIKey of [4-(dimethylamino)-2-[[4-[(4-methoxybenzoyl)amino]phenyl]methyl]pyrimidin-5-yl] acetate?
The InChIKey is KRYVVLLVZGOYJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O4/c1-15(28)31-20-14-24-21(26-22(20)27(2)3)13-16-5-9-18(10-6-16)25-23(29)17-7-11-19(30-4)12-8-17/h5-12,14H,13H2,1-4H3,(H,25,29).
What are the key properties of [4-(dimethylamino)-2-[[4-[(4-methoxybenzoyl)amino]phenyl]methyl]pyrimidin-5-yl] acetate?
[4-(dimethylamino)-2-[[4-[(4-methoxybenzoyl)amino]phenyl]methyl]pyrimidin-5-yl] acetate has a molecular weight of 420.47 g/mol, XLogP of 3.32, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(dimethylamino)-2-[[4-[(4-methoxybenzoyl)amino]phenyl]methyl]pyrimidin-5-yl] acetate is sourced from PubChem (CID 91331900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).