2-[1-(5-fluoropyrimidin-2-yl)pyrrolidin-2-yl]-3-methylquinazolin-4-one

C17H16FN5O — CID 126949331

IUPAC2-[1-(5-fluoropyrimidin-2-yl)pyrrolidin-2-yl]-3-methylquinazolin-4-one
SMILESCn1c(C2CCCN2c2ncc(F)cn2)nc2ccccc2c1=O
InChIInChI=1S/C17H16FN5O/c1-22-15(21-13-6-3-2-5-12(13)16(22)24)14-7-4-8-23(14)17-19-9-11(18)10-20-17/h2-3,5-6,9-10,14H,4,7-8H2,1H3
InChIKeyMRBYXFBPZYARBQ-UHFFFAOYSA-N
MW325.35 g/mol
LogP2.20
Rot. Bonds2

About 2-[1-(5-fluoropyrimidin-2-yl)pyrrolidin-2-yl]-3-methylquinazolin-4-one

2-[1-(5-fluoropyrimidin-2-yl)pyrrolidin-2-yl]-3-methylquinazolin-4-one (PubChem CID 126949331) has the molecular formula C17H16FN5O and a molecular weight of 325.35 g/mol. Its IUPAC name is 2-[1-(5-fluoropyrimidin-2-yl)pyrrolidin-2-yl]-3-methylquinazolin-4-one.

Molecular Properties

Compound Name2-[1-(5-fluoropyrimidin-2-yl)pyrrolidin-2-yl]-3-methylquinazolin-4-one
PubChem CID126949331
Molecular FormulaC17H16FN5O
Molecular Weight325.35 g/mol
Exact Mass325.13
IUPAC Name2-[1-(5-fluoropyrimidin-2-yl)pyrrolidin-2-yl]-3-methylquinazolin-4-one
SMILESCn1c(C2CCCN2c2ncc(F)cn2)nc2ccccc2c1=O
InChIInChI=1S/C17H16FN5O/c1-22-15(21-13-6-3-2-5-12(13)16(22)24)14-7-4-8-23(14)17-19-9-11(18)10-20-17/h2-3,5-6,9-10,14H,4,7-8H2,1H3
InChIKeyMRBYXFBPZYARBQ-UHFFFAOYSA-N
XLogP2.20
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.35
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[1-(5-fluoropyrimidin-2-yl)pyrrolidin-2-yl]-3-(2-methoxyethyl)quinazolin-4-one
CID 126951186
3-methyl-2-[1-(3-methylpyrazin-2-yl)pyrrolidin-2-yl]quinazolin-4-one
CID 126949394
3-methyl-2-[1-(6-methylpyrazin-2-yl)pyrrolidin-2-yl]quinazolin-4-one
CID 126949401
3-(2-hydroxyethyl)-2-[1-(5-methylpyrimidin-2-yl)pyrrolidin-2-yl]quinazolin-4-one
CID 126951022
2-[1-(3-chloro-4-pyridinyl)pyrrolidin-2-yl]-3-methylquinazolin-4-one
CID 126949327
3-methyl-2-[1-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-2-yl]quinazolin-4-one
CID 126949567
3-[2-(3-methyl-4-oxoquinazolin-2-yl)pyrrolidin-1-yl]pyrazine-2-carbonitrile
CID 126949321
2-(1-pyrimidin-2-ylpyrrolidin-2-yl)-3-(2,2,2-trifluoroethyl)quinazolin-4-one
CID 126950467
3-methyl-2-(1-methylsulfonylpyrrolidin-2-yl)quinazolin-4-one
CID 126949306
2-[1-[4-(cyclopropylmethyl)-3-oxopyrazin-2-yl]pyrrolidin-2-yl]-3-methylquinazolin-4-one
CID 126949621
3-methyl-2-[1-[(2-methylpyrimidin-5-yl)methyl]pyrrolidin-2-yl]quinazolin-4-one
CID 126949452
3-(2-hydroxyethyl)-2-[1-(3-methyl-4-oxoquinazolin-2-yl)pyrrolidin-2-yl]quinazolin-4-one
CID 126951068

Frequently Asked Questions

What is the IUPAC name of 2-[1-(5-fluoropyrimidin-2-yl)pyrrolidin-2-yl]-3-methylquinazolin-4-one?
The IUPAC name of 2-[1-(5-fluoropyrimidin-2-yl)pyrrolidin-2-yl]-3-methylquinazolin-4-one (CID 126949331) is 2-[1-(5-fluoropyrimidin-2-yl)pyrrolidin-2-yl]-3-methylquinazolin-4-one.
What is the SMILES notation for 2-[1-(5-fluoropyrimidin-2-yl)pyrrolidin-2-yl]-3-methylquinazolin-4-one?
The canonical SMILES for 2-[1-(5-fluoropyrimidin-2-yl)pyrrolidin-2-yl]-3-methylquinazolin-4-one is Cn1c(C2CCCN2c2ncc(F)cn2)nc2ccccc2c1=O.
What is the InChIKey of 2-[1-(5-fluoropyrimidin-2-yl)pyrrolidin-2-yl]-3-methylquinazolin-4-one?
The InChIKey is MRBYXFBPZYARBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN5O/c1-22-15(21-13-6-3-2-5-12(13)16(22)24)14-7-4-8-23(14)17-19-9-11(18)10-20-17/h2-3,5-6,9-10,14H,4,7-8H2,1H3.
What are the key properties of 2-[1-(5-fluoropyrimidin-2-yl)pyrrolidin-2-yl]-3-methylquinazolin-4-one?
2-[1-(5-fluoropyrimidin-2-yl)pyrrolidin-2-yl]-3-methylquinazolin-4-one has a molecular weight of 325.35 g/mol, XLogP of 2.20, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(5-fluoropyrimidin-2-yl)pyrrolidin-2-yl]-3-methylquinazolin-4-one is sourced from PubChem (CID 126949331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).