N-(4,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)-3-(4-oxoquinazolin-3-yl)propanamide

C21H24N6O2 — CID 122356666

IUPACN-(4,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)-3-(4-oxoquinazolin-3-yl)propanamide
SMILESCc1nc(N2CCCC2)nc(C)c1NC(=O)CCn1cnc2ccccc2c1=O
InChIInChI=1S/C21H24N6O2/c1-14-19(15(2)24-21(23-14)26-10-5-6-11-26)25-18(28)9-12-27-13-22-17-8-4-3-7-16(17)20(27)29/h3-4,7-8,13H,5-6,9-12H2,1-2H3,(H,25,28)
InChIKeyKRYNYNLZVBEVML-UHFFFAOYSA-N
MW392.46 g/mol
LogP2.43
Rot. Bonds5

About N-(4,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)-3-(4-oxoquinazolin-3-yl)propanamide

N-(4,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)-3-(4-oxoquinazolin-3-yl)propanamide (PubChem CID 122356666) has the molecular formula C21H24N6O2 and a molecular weight of 392.46 g/mol. Its IUPAC name is N-(4,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)-3-(4-oxoquinazolin-3-yl)propanamide.

Molecular Properties

Compound NameN-(4,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)-3-(4-oxoquinazolin-3-yl)propanamide
PubChem CID122356666
Molecular FormulaC21H24N6O2
Molecular Weight392.46 g/mol
Exact Mass392.20
IUPAC NameN-(4,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)-3-(4-oxoquinazolin-3-yl)propanamide
SMILESCc1nc(N2CCCC2)nc(C)c1NC(=O)CCn1cnc2ccccc2c1=O
InChIInChI=1S/C21H24N6O2/c1-14-19(15(2)24-21(23-14)26-10-5-6-11-26)25-18(28)9-12-27-13-22-17-8-4-3-7-16(17)20(27)29/h3-4,7-8,13H,5-6,9-12H2,1-2H3,(H,25,28)
InChIKeyKRYNYNLZVBEVML-UHFFFAOYSA-N
XLogP2.43
TPSA93.01 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(4,6-dimethyl-2-morpholin-4-ylpyrimidin-5-yl)-2-(4-oxoquinazolin-3-yl)acetamide
CID 122356923
N-[4-[(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)amino]phenyl]-3-(4-oxoquinazolin-3-yl)propanamide
CID 122297137
N-[[4-(dimethylamino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]methyl]-3-(4-oxoquinazolin-3-yl)propanamide
CID 122254609
N-[2-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)amino]ethyl]-3-(4-oxoquinazolin-3-yl)propanamide
CID 122294971
N-(1-methylpyrazol-4-yl)-3-(4-oxoquinazolin-3-yl)propanamide
CID 32606845
3-(4-oxoquinazolin-3-yl)-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]propanamide
CID 36758177
3-(4-oxoquinazolin-3-yl)-N-[(3-piperidin-1-ylphenyl)methyl]propanamide
CID 46977564
N-[4-[3-(4-oxoquinazolin-3-yl)propanoylamino]phenyl]cyclopropanecarboxamide
CID 26059200
N'-(4,6-dimethylpyrimidin-2-yl)-3-(4-oxoquinazolin-3-yl)propanehydrazide
CID 26122035
N-(5-methyl-1-propan-2-yl-1,2,4-triazol-3-yl)-3-(4-oxoquinazolin-3-yl)propanamide
CID 155916269
3-(4-oxoquinazolin-3-yl)-N-(4-piperidin-1-ylsulfonylphenyl)propanamide
CID 1291315
3-(3-oxo-3-piperidin-1-ylpropyl)quinazolin-4-one
CID 4974516

Frequently Asked Questions

What is the IUPAC name of N-(4,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)-3-(4-oxoquinazolin-3-yl)propanamide?
The IUPAC name of N-(4,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)-3-(4-oxoquinazolin-3-yl)propanamide (CID 122356666) is N-(4,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)-3-(4-oxoquinazolin-3-yl)propanamide.
What is the SMILES notation for N-(4,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)-3-(4-oxoquinazolin-3-yl)propanamide?
The canonical SMILES for N-(4,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)-3-(4-oxoquinazolin-3-yl)propanamide is Cc1nc(N2CCCC2)nc(C)c1NC(=O)CCn1cnc2ccccc2c1=O.
What is the InChIKey of N-(4,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)-3-(4-oxoquinazolin-3-yl)propanamide?
The InChIKey is KRYNYNLZVBEVML-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N6O2/c1-14-19(15(2)24-21(23-14)26-10-5-6-11-26)25-18(28)9-12-27-13-22-17-8-4-3-7-16(17)20(27)29/h3-4,7-8,13H,5-6,9-12H2,1-2H3,(H,25,28).
What are the key properties of N-(4,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)-3-(4-oxoquinazolin-3-yl)propanamide?
N-(4,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)-3-(4-oxoquinazolin-3-yl)propanamide has a molecular weight of 392.46 g/mol, XLogP of 2.43, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)-3-(4-oxoquinazolin-3-yl)propanamide is sourced from PubChem (CID 122356666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).