2-tert-butyl-8-[4-(dimethylamino)phenyl]-3H-pyrido[4,3-d]pyrimidin-4-one

C19H22N4O — CID 135783386

IUPAC2-tert-butyl-8-[4-(dimethylamino)phenyl]-3H-pyrido[4,3-d]pyrimidin-4-one
SMILESCN(C)c1ccc(-c2cncc3c(=O)[nH]c(C(C)(C)C)nc23)cc1
InChIInChI=1S/C19H22N4O/c1-19(2,3)18-21-16-14(10-20-11-15(16)17(24)22-18)12-6-8-13(9-7-12)23(4)5/h6-11H,1-5H3,(H,21,22,24)
InChIKeyGTJGNJJPESFIST-UHFFFAOYSA-N
MW322.41 g/mol
LogP3.35
Rot. Bonds2

About 2-tert-butyl-8-[4-(dimethylamino)phenyl]-3H-pyrido[4,3-d]pyrimidin-4-one

2-tert-butyl-8-[4-(dimethylamino)phenyl]-3H-pyrido[4,3-d]pyrimidin-4-one (PubChem CID 135783386) has the molecular formula C19H22N4O and a molecular weight of 322.41 g/mol. Its IUPAC name is 2-tert-butyl-8-[4-(dimethylamino)phenyl]-3H-pyrido[4,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-tert-butyl-8-[4-(dimethylamino)phenyl]-3H-pyrido[4,3-d]pyrimidin-4-one
PubChem CID135783386
Molecular FormulaC19H22N4O
Molecular Weight322.41 g/mol
Exact Mass322.18
IUPAC Name2-tert-butyl-8-[4-(dimethylamino)phenyl]-3H-pyrido[4,3-d]pyrimidin-4-one
SMILESCN(C)c1ccc(-c2cncc3c(=O)[nH]c(C(C)(C)C)nc23)cc1
InChIInChI=1S/C19H22N4O/c1-19(2,3)18-21-16-14(10-20-11-15(16)17(24)22-18)12-6-8-13(9-7-12)23(4)5/h6-11H,1-5H3,(H,21,22,24)
InChIKeyGTJGNJJPESFIST-UHFFFAOYSA-N
XLogP3.35
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

7-(dimethylamino)-3-[4-(dimethylamino)phenyl]-2H-isoquinolin-1-one
CID 122626734
1,4,5,8-tetrakis[4-(dimethylamino)phenyl]anthracene-9,10-dione
CID 25054151
6-[4-(dimethylamino)phenyl]-1H-pyrazine-2-thione
CID 106513942
2-tert-butyl-8-phenyl-5-phenylsulfanyl-3H-pyrido[3,4-d]pyrimidin-4-one
CID 136764883
2-[[4-(dimethylamino)phenyl]methylamino]-3H-quinazolin-4-one
CID 137264078
4-(6-tert-butyl-3-pyridinyl)-N,N-dimethylaniline
CID 20709653
4-[4-(dimethylamino)phenyl]-2-(4-methylpiperazin-1-yl)-6-oxo-1H-pyrimidine-5-carbonitrile
CID 135434925
6-[4-(dimethylamino)phenyl]-5-ethyl-3-methyl-1H-pyridin-2-one
CID 144545636
4-[4-(dimethylamino)phenyl]-N,N-dimethylaniline;ethane
CID 91522137
3-(4-aminophenyl)-7-(dimethylamino)-2H-isoquinolin-1-one
CID 134268735
2-tert-butyl-4-(4-methyl-3-pyridinyl)-1H-pyrimidin-6-one
CID 136955614
N,N-dimethyl-4-[4-methyl-5-(6-pyridin-2-yl-2-pyridinyl)-3-pyridinyl]aniline
CID 91345968

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-8-[4-(dimethylamino)phenyl]-3H-pyrido[4,3-d]pyrimidin-4-one?
The IUPAC name of 2-tert-butyl-8-[4-(dimethylamino)phenyl]-3H-pyrido[4,3-d]pyrimidin-4-one (CID 135783386) is 2-tert-butyl-8-[4-(dimethylamino)phenyl]-3H-pyrido[4,3-d]pyrimidin-4-one.
What is the SMILES notation for 2-tert-butyl-8-[4-(dimethylamino)phenyl]-3H-pyrido[4,3-d]pyrimidin-4-one?
The canonical SMILES for 2-tert-butyl-8-[4-(dimethylamino)phenyl]-3H-pyrido[4,3-d]pyrimidin-4-one is CN(C)c1ccc(-c2cncc3c(=O)[nH]c(C(C)(C)C)nc23)cc1.
What is the InChIKey of 2-tert-butyl-8-[4-(dimethylamino)phenyl]-3H-pyrido[4,3-d]pyrimidin-4-one?
The InChIKey is GTJGNJJPESFIST-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O/c1-19(2,3)18-21-16-14(10-20-11-15(16)17(24)22-18)12-6-8-13(9-7-12)23(4)5/h6-11H,1-5H3,(H,21,22,24).
What are the key properties of 2-tert-butyl-8-[4-(dimethylamino)phenyl]-3H-pyrido[4,3-d]pyrimidin-4-one?
2-tert-butyl-8-[4-(dimethylamino)phenyl]-3H-pyrido[4,3-d]pyrimidin-4-one has a molecular weight of 322.41 g/mol, XLogP of 3.35, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-8-[4-(dimethylamino)phenyl]-3H-pyrido[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 135783386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).