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

C18H20N6O — CID 137209653

IUPAC2-[1-[2-(dimethylamino)pyrimidin-4-yl]pyrrolidin-2-yl]-3H-quinazolin-4-one
SMILESCN(C)c1nccc(N2CCCC2c2nc3ccccc3c(=O)[nH]2)n1
InChIInChI=1S/C18H20N6O/c1-23(2)18-19-10-9-15(21-18)24-11-5-8-14(24)16-20-13-7-4-3-6-12(13)17(25)22-16/h3-4,6-7,9-10,14H,5,8,11H2,1-2H3,(H,20,22,25)
InChIKeyVSGOJOPXVVQGMD-UHFFFAOYSA-N
MW336.40 g/mol
LogP2.12
Rot. Bonds3

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

2-[1-[2-(dimethylamino)pyrimidin-4-yl]pyrrolidin-2-yl]-3H-quinazolin-4-one (PubChem CID 137209653) has the molecular formula C18H20N6O and a molecular weight of 336.40 g/mol. Its IUPAC name is 2-[1-[2-(dimethylamino)pyrimidin-4-yl]pyrrolidin-2-yl]-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-[1-[2-(dimethylamino)pyrimidin-4-yl]pyrrolidin-2-yl]-3H-quinazolin-4-one
PubChem CID137209653
Molecular FormulaC18H20N6O
Molecular Weight336.40 g/mol
Exact Mass336.17
IUPAC Name2-[1-[2-(dimethylamino)pyrimidin-4-yl]pyrrolidin-2-yl]-3H-quinazolin-4-one
SMILESCN(C)c1nccc(N2CCCC2c2nc3ccccc3c(=O)[nH]2)n1
InChIInChI=1S/C18H20N6O/c1-23(2)18-19-10-9-15(21-18)24-11-5-8-14(24)16-20-13-7-4-3-6-12(13)17(25)22-16/h3-4,6-7,9-10,14H,5,8,11H2,1-2H3,(H,20,22,25)
InChIKeyVSGOJOPXVVQGMD-UHFFFAOYSA-N
XLogP2.12
TPSA78.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[1-(2-methylpyrimidin-4-yl)pyrrolidin-2-yl]-3H-quinazolin-4-one
CID 137209487
2-[1-(2-cyclopropylpyrimidin-4-yl)pyrrolidin-2-yl]-3H-quinazolin-4-one
CID 137209654
2-[1-(6-methylpyridazin-3-yl)pyrrolidin-2-yl]-3H-quinazolin-4-one
CID 137209450
2-[1-[2-(dimethylamino)pyrimidin-4-yl]pyrrolidin-2-yl]-3-(2,2,2-trifluoroethyl)quinazolin-4-one
CID 126950650
2-[1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)pyrrolidin-2-yl]-3H-quinazolin-4-one
CID 137209480
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-(cyclopentanecarbonyl)pyrrolidin-2-yl]-3H-quinazolin-4-one
CID 137209357
2-[1-(1-methylimidazol-4-yl)sulfonylpyrrolidin-2-yl]-3H-quinazolin-4-one
CID 137209425
2-[1-[(2-methyl-3-oxopyridazin-4-yl)methyl]pyrrolidin-2-yl]-3H-quinazolin-4-one
CID 137209529
2-[1-(6-oxo-1H-pyridine-2-carbonyl)pyrrolidin-2-yl]-3H-quinazolin-4-one
CID 137209673
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-(dimethylamino)pyrimidin-4-yl]pyrrolidin-2-yl]-3H-quinazolin-4-one?
The IUPAC name of 2-[1-[2-(dimethylamino)pyrimidin-4-yl]pyrrolidin-2-yl]-3H-quinazolin-4-one (CID 137209653) is 2-[1-[2-(dimethylamino)pyrimidin-4-yl]pyrrolidin-2-yl]-3H-quinazolin-4-one.
What is the SMILES notation for 2-[1-[2-(dimethylamino)pyrimidin-4-yl]pyrrolidin-2-yl]-3H-quinazolin-4-one?
The canonical SMILES for 2-[1-[2-(dimethylamino)pyrimidin-4-yl]pyrrolidin-2-yl]-3H-quinazolin-4-one is CN(C)c1nccc(N2CCCC2c2nc3ccccc3c(=O)[nH]2)n1.
What is the InChIKey of 2-[1-[2-(dimethylamino)pyrimidin-4-yl]pyrrolidin-2-yl]-3H-quinazolin-4-one?
The InChIKey is VSGOJOPXVVQGMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6O/c1-23(2)18-19-10-9-15(21-18)24-11-5-8-14(24)16-20-13-7-4-3-6-12(13)17(25)22-16/h3-4,6-7,9-10,14H,5,8,11H2,1-2H3,(H,20,22,25).
What are the key properties of 2-[1-[2-(dimethylamino)pyrimidin-4-yl]pyrrolidin-2-yl]-3H-quinazolin-4-one?
2-[1-[2-(dimethylamino)pyrimidin-4-yl]pyrrolidin-2-yl]-3H-quinazolin-4-one has a molecular weight of 336.40 g/mol, XLogP of 2.12, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(dimethylamino)pyrimidin-4-yl]pyrrolidin-2-yl]-3H-quinazolin-4-one is sourced from PubChem (CID 137209653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).