3-(2-hydroxyethyl)-2-[1-(5-methylpyrimidin-2-yl)pyrrolidin-2-yl]quinazolin-4-one

C19H21N5O2 — CID 126951022

IUPAC3-(2-hydroxyethyl)-2-[1-(5-methylpyrimidin-2-yl)pyrrolidin-2-yl]quinazolin-4-one
SMILESCc1cnc(N2CCCC2c2nc3ccccc3c(=O)n2CCO)nc1
InChIInChI=1S/C19H21N5O2/c1-13-11-20-19(21-12-13)23-8-4-7-16(23)17-22-15-6-3-2-5-14(15)18(26)24(17)9-10-25/h2-3,5-6,11-12,16,25H,4,7-10H2,1H3
InChIKeyPFUKVWWLRIRZJV-UHFFFAOYSA-N
MW351.41 g/mol
LogP1.83
Rot. Bonds4

About 3-(2-hydroxyethyl)-2-[1-(5-methylpyrimidin-2-yl)pyrrolidin-2-yl]quinazolin-4-one

3-(2-hydroxyethyl)-2-[1-(5-methylpyrimidin-2-yl)pyrrolidin-2-yl]quinazolin-4-one (PubChem CID 126951022) has the molecular formula C19H21N5O2 and a molecular weight of 351.41 g/mol. Its IUPAC name is 3-(2-hydroxyethyl)-2-[1-(5-methylpyrimidin-2-yl)pyrrolidin-2-yl]quinazolin-4-one.

Molecular Properties

Compound Name3-(2-hydroxyethyl)-2-[1-(5-methylpyrimidin-2-yl)pyrrolidin-2-yl]quinazolin-4-one
PubChem CID126951022
Molecular FormulaC19H21N5O2
Molecular Weight351.41 g/mol
Exact Mass351.17
IUPAC Name3-(2-hydroxyethyl)-2-[1-(5-methylpyrimidin-2-yl)pyrrolidin-2-yl]quinazolin-4-one
SMILESCc1cnc(N2CCCC2c2nc3ccccc3c(=O)n2CCO)nc1
InChIInChI=1S/C19H21N5O2/c1-13-11-20-19(21-12-13)23-8-4-7-16(23)17-22-15-6-3-2-5-14(15)18(26)24(17)9-10-25/h2-3,5-6,11-12,16,25H,4,7-10H2,1H3
InChIKeyPFUKVWWLRIRZJV-UHFFFAOYSA-N
XLogP1.83
TPSA84.14 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-(2-hydroxyethyl)-2-[1-(3-methyl-4-oxoquinazolin-2-yl)pyrrolidin-2-yl]quinazolin-4-one
CID 126951068
2-[1-(5-fluoropyrimidin-2-yl)pyrrolidin-2-yl]-3-(2-methoxyethyl)quinazolin-4-one
CID 126951186
2-[1-(cyclopentanecarbonyl)pyrrolidin-2-yl]-3-(2-hydroxyethyl)quinazolin-4-one
CID 126950695
3-(2-hydroxyethyl)-2-[1-(2-methylpyrazolo[3,4-d]pyrimidin-4-yl)pyrrolidin-2-yl]quinazolin-4-one
CID 126951073
2-(1-pyrimidin-2-ylpyrrolidin-2-yl)-3-(2,2,2-trifluoroethyl)quinazolin-4-one
CID 126950467
3-(2-hydroxyethyl)-2-[1-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-yl]quinazolin-4-one
CID 126951032
3-(2-hydroxyethyl)-2-[1-[3-(trifluoromethyl)-2-pyridinyl]pyrrolidin-2-yl]quinazolin-4-one
CID 126950790
2-[1-(5-fluoropyrimidin-2-yl)pyrrolidin-2-yl]-3-methylquinazolin-4-one
CID 126949331
3-(2-hydroxyethyl)-2-[1-(pyrimidine-2-carbonyl)pyrrolidin-2-yl]quinazolin-4-one
CID 126950746
3-(2-hydroxyethyl)-2-[1-(2-methoxyethyl)pyrrolidin-2-yl]quinazolin-4-one
CID 126950815
3-(2-hydroxyethyl)-2-[1-[6-(trifluoromethyl)pyridazin-3-yl]pyrrolidin-2-yl]quinazolin-4-one
CID 126950879
2-[1-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-2-yl]-3-(2,2,2-trifluoroethyl)quinazolin-4-one
CID 126950468

Frequently Asked Questions

What is the IUPAC name of 3-(2-hydroxyethyl)-2-[1-(5-methylpyrimidin-2-yl)pyrrolidin-2-yl]quinazolin-4-one?
The IUPAC name of 3-(2-hydroxyethyl)-2-[1-(5-methylpyrimidin-2-yl)pyrrolidin-2-yl]quinazolin-4-one (CID 126951022) is 3-(2-hydroxyethyl)-2-[1-(5-methylpyrimidin-2-yl)pyrrolidin-2-yl]quinazolin-4-one.
What is the SMILES notation for 3-(2-hydroxyethyl)-2-[1-(5-methylpyrimidin-2-yl)pyrrolidin-2-yl]quinazolin-4-one?
The canonical SMILES for 3-(2-hydroxyethyl)-2-[1-(5-methylpyrimidin-2-yl)pyrrolidin-2-yl]quinazolin-4-one is Cc1cnc(N2CCCC2c2nc3ccccc3c(=O)n2CCO)nc1.
What is the InChIKey of 3-(2-hydroxyethyl)-2-[1-(5-methylpyrimidin-2-yl)pyrrolidin-2-yl]quinazolin-4-one?
The InChIKey is PFUKVWWLRIRZJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O2/c1-13-11-20-19(21-12-13)23-8-4-7-16(23)17-22-15-6-3-2-5-14(15)18(26)24(17)9-10-25/h2-3,5-6,11-12,16,25H,4,7-10H2,1H3.
What are the key properties of 3-(2-hydroxyethyl)-2-[1-(5-methylpyrimidin-2-yl)pyrrolidin-2-yl]quinazolin-4-one?
3-(2-hydroxyethyl)-2-[1-(5-methylpyrimidin-2-yl)pyrrolidin-2-yl]quinazolin-4-one has a molecular weight of 351.41 g/mol, XLogP of 1.83, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydroxyethyl)-2-[1-(5-methylpyrimidin-2-yl)pyrrolidin-2-yl]quinazolin-4-one is sourced from PubChem (CID 126951022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).