2-[1-(2-cyclopropylpyrimidin-4-yl)pyrrolidin-2-yl]-3H-quinazolin-4-one

C19H19N5O — CID 137209654

IUPAC2-[1-(2-cyclopropylpyrimidin-4-yl)pyrrolidin-2-yl]-3H-quinazolin-4-one
SMILESO=c1[nH]c(C2CCCN2c2ccnc(C3CC3)n2)nc2ccccc12
InChIInChI=1S/C19H19N5O/c25-19-13-4-1-2-5-14(13)21-18(23-19)15-6-3-11-24(15)16-9-10-20-17(22-16)12-7-8-12/h1-2,4-5,9-10,12,15H,3,6-8,11H2,(H,21,23,25)
InChIKeyNWJLWYTVQUPBED-UHFFFAOYSA-N
MW333.40 g/mol
LogP2.93
Rot. Bonds3

About 2-[1-(2-cyclopropylpyrimidin-4-yl)pyrrolidin-2-yl]-3H-quinazolin-4-one

2-[1-(2-cyclopropylpyrimidin-4-yl)pyrrolidin-2-yl]-3H-quinazolin-4-one (PubChem CID 137209654) has the molecular formula C19H19N5O and a molecular weight of 333.40 g/mol. Its IUPAC name is 2-[1-(2-cyclopropylpyrimidin-4-yl)pyrrolidin-2-yl]-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-[1-(2-cyclopropylpyrimidin-4-yl)pyrrolidin-2-yl]-3H-quinazolin-4-one
PubChem CID137209654
Molecular FormulaC19H19N5O
Molecular Weight333.40 g/mol
Exact Mass333.16
IUPAC Name2-[1-(2-cyclopropylpyrimidin-4-yl)pyrrolidin-2-yl]-3H-quinazolin-4-one
SMILESO=c1[nH]c(C2CCCN2c2ccnc(C3CC3)n2)nc2ccccc12
InChIInChI=1S/C19H19N5O/c25-19-13-4-1-2-5-14(13)21-18(23-19)15-6-3-11-24(15)16-9-10-20-17(22-16)12-7-8-12/h1-2,4-5,9-10,12,15H,3,6-8,11H2,(H,21,23,25)
InChIKeyNWJLWYTVQUPBED-UHFFFAOYSA-N
XLogP2.93
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.40
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[1-(2-methylpyrimidin-4-yl)pyrrolidin-2-yl]-3H-quinazolin-4-one
CID 137209487
2-[1-[2-(dimethylamino)pyrimidin-4-yl]pyrrolidin-2-yl]-3H-quinazolin-4-one
CID 137209653
2-[1-(6-methylpyridazin-3-yl)pyrrolidin-2-yl]-3H-quinazolin-4-one
CID 137209450
2-[(2S)-1-(2-cyclopropylpyrimidin-4-yl)pyrrolidin-2-yl]-4,5,6,7-tetrahydro-1H-benzimidazole
CID 129476225
2-[1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)pyrrolidin-2-yl]-3H-quinazolin-4-one
CID 137209480
2-[1-(cyclopentanecarbonyl)pyrrolidin-2-yl]-3H-quinazolin-4-one
CID 137209357
2-[1-[(1-methyl-6-oxopyrimidin-2-yl)methyl]pyrrolidin-2-yl]-3H-quinazolin-4-one
CID 137209538
2-[1-[(2-methoxypyrimidin-4-yl)methyl]pyrrolidin-2-yl]-3H-quinazolin-4-one
CID 137209551
2-[1-(1-methylimidazol-4-yl)sulfonylpyrrolidin-2-yl]-3H-quinazolin-4-one
CID 137209425
2-[1-(6-oxo-1H-pyridine-2-carbonyl)pyrrolidin-2-yl]-3H-quinazolin-4-one
CID 137209673
2-[1-[(2-methyl-3-oxopyridazin-4-yl)methyl]pyrrolidin-2-yl]-3H-quinazolin-4-one
CID 137209529
2-[1-(1,2,5-oxadiazol-3-ylmethyl)pyrrolidin-2-yl]-3H-quinazolin-4-one
CID 137209566

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-cyclopropylpyrimidin-4-yl)pyrrolidin-2-yl]-3H-quinazolin-4-one?
The IUPAC name of 2-[1-(2-cyclopropylpyrimidin-4-yl)pyrrolidin-2-yl]-3H-quinazolin-4-one (CID 137209654) is 2-[1-(2-cyclopropylpyrimidin-4-yl)pyrrolidin-2-yl]-3H-quinazolin-4-one.
What is the SMILES notation for 2-[1-(2-cyclopropylpyrimidin-4-yl)pyrrolidin-2-yl]-3H-quinazolin-4-one?
The canonical SMILES for 2-[1-(2-cyclopropylpyrimidin-4-yl)pyrrolidin-2-yl]-3H-quinazolin-4-one is O=c1[nH]c(C2CCCN2c2ccnc(C3CC3)n2)nc2ccccc12.
What is the InChIKey of 2-[1-(2-cyclopropylpyrimidin-4-yl)pyrrolidin-2-yl]-3H-quinazolin-4-one?
The InChIKey is NWJLWYTVQUPBED-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O/c25-19-13-4-1-2-5-14(13)21-18(23-19)15-6-3-11-24(15)16-9-10-20-17(22-16)12-7-8-12/h1-2,4-5,9-10,12,15H,3,6-8,11H2,(H,21,23,25).
What are the key properties of 2-[1-(2-cyclopropylpyrimidin-4-yl)pyrrolidin-2-yl]-3H-quinazolin-4-one?
2-[1-(2-cyclopropylpyrimidin-4-yl)pyrrolidin-2-yl]-3H-quinazolin-4-one has a molecular weight of 333.40 g/mol, XLogP of 2.93, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-cyclopropylpyrimidin-4-yl)pyrrolidin-2-yl]-3H-quinazolin-4-one is sourced from PubChem (CID 137209654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).