2-[2-[(2-methyl-5-propylpyrimidin-4-yl)amino]ethyl]-3H-quinazolin-4-one

C18H21N5O — CID 137314025

IUPAC2-[2-[(2-methyl-5-propylpyrimidin-4-yl)amino]ethyl]-3H-quinazolin-4-one
SMILESCCCc1cnc(C)nc1NCCc1nc2ccccc2c(=O)[nH]1
InChIInChI=1S/C18H21N5O/c1-3-6-13-11-20-12(2)21-17(13)19-10-9-16-22-15-8-5-4-7-14(15)18(24)23-16/h4-5,7-8,11H,3,6,9-10H2,1-2H3,(H,19,20,21)(H,22,23,24)
InChIKeyCXLUEVFOYRWDGM-UHFFFAOYSA-N
MW323.40 g/mol
LogP2.63
Rot. Bonds6

About 2-[2-[(2-methyl-5-propylpyrimidin-4-yl)amino]ethyl]-3H-quinazolin-4-one

2-[2-[(2-methyl-5-propylpyrimidin-4-yl)amino]ethyl]-3H-quinazolin-4-one (PubChem CID 137314025) has the molecular formula C18H21N5O and a molecular weight of 323.40 g/mol. Its IUPAC name is 2-[2-[(2-methyl-5-propylpyrimidin-4-yl)amino]ethyl]-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-[2-[(2-methyl-5-propylpyrimidin-4-yl)amino]ethyl]-3H-quinazolin-4-one
PubChem CID137314025
Molecular FormulaC18H21N5O
Molecular Weight323.40 g/mol
Exact Mass323.17
IUPAC Name2-[2-[(2-methyl-5-propylpyrimidin-4-yl)amino]ethyl]-3H-quinazolin-4-one
SMILESCCCc1cnc(C)nc1NCCc1nc2ccccc2c(=O)[nH]1
InChIInChI=1S/C18H21N5O/c1-3-6-13-11-20-12(2)21-17(13)19-10-9-16-22-15-8-5-4-7-14(15)18(24)23-16/h4-5,7-8,11H,3,6,9-10H2,1-2H3,(H,19,20,21)(H,22,23,24)
InChIKeyCXLUEVFOYRWDGM-UHFFFAOYSA-N
XLogP2.63
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-[[6-(4-ethoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-yl]amino]ethyl]-3H-quinazolin-4-one
CID 135984772
2-[2-[[5-methyl-4-(2-methyl-1,2,4-triazol-3-yl)pyrimidin-2-yl]amino]ethyl]-3H-quinazolin-4-one
CID 135915486
2-(propylamino)-3H-quinazolin-4-one
CID 135439661
formic acid;2-[2-[(6-propan-2-ylpyrimidin-4-yl)amino]ethyl]-3H-quinazolin-4-one
CID 154916800
diethyl 2-acetamido-2-[2-(4-oxo-3H-quinazolin-2-yl)ethyl]propanedioate
CID 135697507
5-methyl-N-[2-(4-oxo-3H-quinazolin-2-yl)ethyl]thiophene-2-sulfonamide
CID 136767933
2-[[(1-methyl-6-propylpyrazolo[3,4-d]pyrimidin-4-yl)amino]methyl]-3H-quinazolin-4-one
CID 135990818
3-methyl-N-[2-(4-oxo-3H-quinazolin-2-yl)ethyl]benzamide
CID 136767873
N-(2-methylbutan-2-yl)-3-(4-oxo-3H-quinazolin-2-yl)propanamide
CID 135522437
2-[2-[[2-(1,3-thiazolidin-5-ylidenemethyl)pyrimidin-4-yl]amino]ethyl]-3H-quinazolin-4-one
CID 137072838
2-(3,3-dimethyl-2-oxobutyl)-3H-quinazolin-4-one
CID 139894083
N-(5-methyl-1,3-thiazol-2-yl)-3-(4-oxo-3H-quinazolin-2-yl)propanamide
CID 135819555

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2-methyl-5-propylpyrimidin-4-yl)amino]ethyl]-3H-quinazolin-4-one?
The IUPAC name of 2-[2-[(2-methyl-5-propylpyrimidin-4-yl)amino]ethyl]-3H-quinazolin-4-one (CID 137314025) is 2-[2-[(2-methyl-5-propylpyrimidin-4-yl)amino]ethyl]-3H-quinazolin-4-one.
What is the SMILES notation for 2-[2-[(2-methyl-5-propylpyrimidin-4-yl)amino]ethyl]-3H-quinazolin-4-one?
The canonical SMILES for 2-[2-[(2-methyl-5-propylpyrimidin-4-yl)amino]ethyl]-3H-quinazolin-4-one is CCCc1cnc(C)nc1NCCc1nc2ccccc2c(=O)[nH]1.
What is the InChIKey of 2-[2-[(2-methyl-5-propylpyrimidin-4-yl)amino]ethyl]-3H-quinazolin-4-one?
The InChIKey is CXLUEVFOYRWDGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O/c1-3-6-13-11-20-12(2)21-17(13)19-10-9-16-22-15-8-5-4-7-14(15)18(24)23-16/h4-5,7-8,11H,3,6,9-10H2,1-2H3,(H,19,20,21)(H,22,23,24).
What are the key properties of 2-[2-[(2-methyl-5-propylpyrimidin-4-yl)amino]ethyl]-3H-quinazolin-4-one?
2-[2-[(2-methyl-5-propylpyrimidin-4-yl)amino]ethyl]-3H-quinazolin-4-one has a molecular weight of 323.40 g/mol, XLogP of 2.63, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2-methyl-5-propylpyrimidin-4-yl)amino]ethyl]-3H-quinazolin-4-one is sourced from PubChem (CID 137314025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).