8-chloro-2-ethyl-3-phenylquinazolin-4-one;2,4,6-triaminopyrimidine-5-carbonitrile

C21H19ClN8O — CID 144852752

IUPAC8-chloro-2-ethyl-3-phenylquinazolin-4-one;2,4,6-triaminopyrimidine-5-carbonitrile
SMILESCCc1nc2c(Cl)cccc2c(=O)n1-c1ccccc1.N#Cc1c(N)nc(N)nc1N
InChIInChI=1S/C16H13ClN2O.C5H6N6/c1-2-14-18-15-12(9-6-10-13(15)17)16(20)19(14)11-7-4-3-5-8-11;6-1-2-3(7)10-5(9)11-4(2)8/h3-10H,2H2,1H3;(H6,7,8,9,10,11)
InChIKeyOHNMDULXRYSXNO-UHFFFAOYSA-N
MW434.89 g/mol
LogP2.70
Rot. Bonds2

About 8-chloro-2-ethyl-3-phenylquinazolin-4-one;2,4,6-triaminopyrimidine-5-carbonitrile

8-chloro-2-ethyl-3-phenylquinazolin-4-one;2,4,6-triaminopyrimidine-5-carbonitrile (PubChem CID 144852752) has the molecular formula C21H19ClN8O and a molecular weight of 434.89 g/mol. Its IUPAC name is 8-chloro-2-ethyl-3-phenylquinazolin-4-one;2,4,6-triaminopyrimidine-5-carbonitrile.

Molecular Properties

Compound Name8-chloro-2-ethyl-3-phenylquinazolin-4-one;2,4,6-triaminopyrimidine-5-carbonitrile
PubChem CID144852752
Molecular FormulaC21H19ClN8O
Molecular Weight434.89 g/mol
Exact Mass434.14
IUPAC Name8-chloro-2-ethyl-3-phenylquinazolin-4-one;2,4,6-triaminopyrimidine-5-carbonitrile
SMILESCCc1nc2c(Cl)cccc2c(=O)n1-c1ccccc1.N#Cc1c(N)nc(N)nc1N
InChIInChI=1S/C16H13ClN2O.C5H6N6/c1-2-14-18-15-12(9-6-10-13(15)17)16(20)19(14)11-7-4-3-5-8-11;6-1-2-3(7)10-5(9)11-4(2)8/h3-10H,2H2,1H3;(H6,7,8,9,10,11)
InChIKeyOHNMDULXRYSXNO-UHFFFAOYSA-N
XLogP2.70
TPSA162.52 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.89
LogP ≤ 52.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Related Compounds

2,4-diamino-6-[2-(8-iodo-4-oxo-3-phenylquinazolin-2-yl)ethylamino]pyrimidine-5-carbonitrile
CID 90236988
3-ethyl-8-methyl-2-phenylisoquinolin-1-one;2,4,6-triaminopyrimidine-5-carbonitrile
CID 142525336
2,4-diamino-6-[(5-chloro-4-oxo-3-phenylquinazolin-2-yl)-ethylamino]pyrimidine-5-carbonitrile
CID 90236765
2,4-diamino-6-[1-[8-chloro-3-(3,5-difluorophenyl)-4-oxoquinazolin-2-yl]ethylamino]pyrimidine-5-carbonitrile
CID 90234971
2-ethyl-3-phenylquinazolin-4-one
CID 719985
5-chloro-8-fluoro-2-propyl-3-pyridin-3-ylquinazolin-4-one;2,4,6-triaminopyrimidine-5-carbonitrile
CID 144759664
2,4-diamino-6-[2-(6-fluoro-8-iodo-4-oxo-3-phenylquinazolin-2-yl)ethylamino]pyrimidine-5-carbonitrile
CID 90237483
2,4-diamino-6-[[1-(8-chloro-1-oxo-2-phenylisoquinolin-3-yl)-2-methylpropyl]amino]pyrimidine-5-carbonitrile
CID 90250815
4-amino-6-methylpyridine-3-carbonitrile;5-chloro-2-ethyl-3-phenylquinazolin-4-one
CID 144954490
2-ethyl-4-oxo-3-phenylquinazoline-5-carbonitrile
CID 123768528
2-(2-chlorophenyl)-8-methyl-3-phenylquinazolin-4-one
CID 155671969
2,4-diamino-6-[2-[5-chloro-3-(3-cyanophenyl)-4-oxoquinazolin-2-yl]ethylamino]pyrimidine-5-carbonitrile
CID 90238006

Frequently Asked Questions

What is the IUPAC name of 8-chloro-2-ethyl-3-phenylquinazolin-4-one;2,4,6-triaminopyrimidine-5-carbonitrile?
The IUPAC name of 8-chloro-2-ethyl-3-phenylquinazolin-4-one;2,4,6-triaminopyrimidine-5-carbonitrile (CID 144852752) is 8-chloro-2-ethyl-3-phenylquinazolin-4-one;2,4,6-triaminopyrimidine-5-carbonitrile.
What is the SMILES notation for 8-chloro-2-ethyl-3-phenylquinazolin-4-one;2,4,6-triaminopyrimidine-5-carbonitrile?
The canonical SMILES for 8-chloro-2-ethyl-3-phenylquinazolin-4-one;2,4,6-triaminopyrimidine-5-carbonitrile is CCc1nc2c(Cl)cccc2c(=O)n1-c1ccccc1.N#Cc1c(N)nc(N)nc1N.
What is the InChIKey of 8-chloro-2-ethyl-3-phenylquinazolin-4-one;2,4,6-triaminopyrimidine-5-carbonitrile?
The InChIKey is OHNMDULXRYSXNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN2O.C5H6N6/c1-2-14-18-15-12(9-6-10-13(15)17)16(20)19(14)11-7-4-3-5-8-11;6-1-2-3(7)10-5(9)11-4(2)8/h3-10H,2H2,1H3;(H6,7,8,9,10,11).
What are the key properties of 8-chloro-2-ethyl-3-phenylquinazolin-4-one;2,4,6-triaminopyrimidine-5-carbonitrile?
8-chloro-2-ethyl-3-phenylquinazolin-4-one;2,4,6-triaminopyrimidine-5-carbonitrile has a molecular weight of 434.89 g/mol, XLogP of 2.70, 2 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-2-ethyl-3-phenylquinazolin-4-one;2,4,6-triaminopyrimidine-5-carbonitrile is sourced from PubChem (CID 144852752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).