N-[4-(dimethylamino)-2-pyrrolidin-1-ylpyrimidin-5-yl]-2-(4-oxoquinazolin-3-yl)acetamide

C20H23N7O2 — CID 122320008

IUPACN-[4-(dimethylamino)-2-pyrrolidin-1-ylpyrimidin-5-yl]-2-(4-oxoquinazolin-3-yl)acetamide
SMILESCN(C)c1nc(N2CCCC2)ncc1NC(=O)Cn1cnc2ccccc2c1=O
InChIInChI=1S/C20H23N7O2/c1-25(2)18-16(11-21-20(24-18)26-9-5-6-10-26)23-17(28)12-27-13-22-15-8-4-3-7-14(15)19(27)29/h3-4,7-8,11,13H,5-6,9-10,12H2,1-2H3,(H,23,28)
InChIKeyRLKZIXVCBFCJCO-UHFFFAOYSA-N
MW393.45 g/mol
LogP1.49
Rot. Bonds5

About N-[4-(dimethylamino)-2-pyrrolidin-1-ylpyrimidin-5-yl]-2-(4-oxoquinazolin-3-yl)acetamide

N-[4-(dimethylamino)-2-pyrrolidin-1-ylpyrimidin-5-yl]-2-(4-oxoquinazolin-3-yl)acetamide (PubChem CID 122320008) has the molecular formula C20H23N7O2 and a molecular weight of 393.45 g/mol. Its IUPAC name is N-[4-(dimethylamino)-2-pyrrolidin-1-ylpyrimidin-5-yl]-2-(4-oxoquinazolin-3-yl)acetamide.

Molecular Properties

Compound NameN-[4-(dimethylamino)-2-pyrrolidin-1-ylpyrimidin-5-yl]-2-(4-oxoquinazolin-3-yl)acetamide
PubChem CID122320008
Molecular FormulaC20H23N7O2
Molecular Weight393.45 g/mol
Exact Mass393.19
IUPAC NameN-[4-(dimethylamino)-2-pyrrolidin-1-ylpyrimidin-5-yl]-2-(4-oxoquinazolin-3-yl)acetamide
SMILESCN(C)c1nc(N2CCCC2)ncc1NC(=O)Cn1cnc2ccccc2c1=O
InChIInChI=1S/C20H23N7O2/c1-25(2)18-16(11-21-20(24-18)26-9-5-6-10-26)23-17(28)12-27-13-22-15-8-4-3-7-14(15)19(27)29/h3-4,7-8,11,13H,5-6,9-10,12H2,1-2H3,(H,23,28)
InChIKeyRLKZIXVCBFCJCO-UHFFFAOYSA-N
XLogP1.49
TPSA96.25 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.45
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-[4-(dimethylamino)-2-pyrrolidin-1-ylpyrimidin-5-yl]naphthalene-1-carboxamide
CID 122319909
2-(4-oxoquinazolin-3-yl)-N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]acetamide
CID 122353191
N-(4,6-dimethyl-2-morpholin-4-ylpyrimidin-5-yl)-2-(4-oxoquinazolin-3-yl)acetamide
CID 122356923
N-[4-(dimethylamino)-2-piperidin-1-ylpyrimidin-5-yl]-2-(2-methoxyphenoxy)acetamide
CID 122320175
1-(2-chlorophenyl)-3-[4-(dimethylamino)-2-pyrrolidin-1-ylpyrimidin-5-yl]urea
CID 71807700
ethyl 2-[[2-(5-oxo-2-pyrrolidin-1-ylpyrimido[4,5-d]pyrimidin-6-yl)acetyl]amino]benzoate
CID 50826180
N-(2-methylsulfanylphenyl)-2-(4-oxoquinazolin-3-yl)acetamide
CID 4808995
N-[(4-methoxy-6-piperidin-1-yl-1,3,5-triazin-2-yl)methyl]-2-(4-oxoquinazolin-3-yl)acetamide
CID 122253592
N-[4-(dimethylamino)-2-piperidin-1-ylpyrimidin-5-yl]-1,3-benzothiazole-2-carboxamide
CID 122320200
N-(4,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)-3-(4-oxoquinazolin-3-yl)propanamide
CID 122356666
N-[4-(dimethylamino)-2-pyrrolidin-1-ylpyrimidin-5-yl]-4-phenylbenzamide
CID 91969317
N-[2-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)amino]ethyl]-2-(4-oxoquinazolin-3-yl)acetamide
CID 122294459

Frequently Asked Questions

What is the IUPAC name of N-[4-(dimethylamino)-2-pyrrolidin-1-ylpyrimidin-5-yl]-2-(4-oxoquinazolin-3-yl)acetamide?
The IUPAC name of N-[4-(dimethylamino)-2-pyrrolidin-1-ylpyrimidin-5-yl]-2-(4-oxoquinazolin-3-yl)acetamide (CID 122320008) is N-[4-(dimethylamino)-2-pyrrolidin-1-ylpyrimidin-5-yl]-2-(4-oxoquinazolin-3-yl)acetamide.
What is the SMILES notation for N-[4-(dimethylamino)-2-pyrrolidin-1-ylpyrimidin-5-yl]-2-(4-oxoquinazolin-3-yl)acetamide?
The canonical SMILES for N-[4-(dimethylamino)-2-pyrrolidin-1-ylpyrimidin-5-yl]-2-(4-oxoquinazolin-3-yl)acetamide is CN(C)c1nc(N2CCCC2)ncc1NC(=O)Cn1cnc2ccccc2c1=O.
What is the InChIKey of N-[4-(dimethylamino)-2-pyrrolidin-1-ylpyrimidin-5-yl]-2-(4-oxoquinazolin-3-yl)acetamide?
The InChIKey is RLKZIXVCBFCJCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N7O2/c1-25(2)18-16(11-21-20(24-18)26-9-5-6-10-26)23-17(28)12-27-13-22-15-8-4-3-7-14(15)19(27)29/h3-4,7-8,11,13H,5-6,9-10,12H2,1-2H3,(H,23,28).
What are the key properties of N-[4-(dimethylamino)-2-pyrrolidin-1-ylpyrimidin-5-yl]-2-(4-oxoquinazolin-3-yl)acetamide?
N-[4-(dimethylamino)-2-pyrrolidin-1-ylpyrimidin-5-yl]-2-(4-oxoquinazolin-3-yl)acetamide has a molecular weight of 393.45 g/mol, XLogP of 1.49, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(dimethylamino)-2-pyrrolidin-1-ylpyrimidin-5-yl]-2-(4-oxoquinazolin-3-yl)acetamide is sourced from PubChem (CID 122320008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).