5-methyl-3-(2-methylphenyl)-2-propylquinazolin-4-one;5-(4-methyl-1,3-oxazol-2-yl)pyrimidine-4,6-diamine

C27H29N7O2 — CID 144810797

IUPAC5-methyl-3-(2-methylphenyl)-2-propylquinazolin-4-one;5-(4-methyl-1,3-oxazol-2-yl)pyrimidine-4,6-diamine
SMILESCCCc1nc2cccc(C)c2c(=O)n1-c1ccccc1C.Cc1coc(-c2c(N)ncnc2N)n1
InChIInChI=1S/C19H20N2O.C8H9N5O/c1-4-8-17-20-15-11-7-10-14(3)18(15)19(22)21(17)16-12-6-5-9-13(16)2;1-4-2-14-8(13-4)5-6(9)11-3-12-7(5)10/h5-7,9-12H,4,8H2,1-3H3;2-3H,1H3,(H4,9,10,11,12)
InChIKeyVBRWQWZDNLQWFB-UHFFFAOYSA-N
MW483.58 g/mol
LogP4.56
Rot. Bonds4

About 5-methyl-3-(2-methylphenyl)-2-propylquinazolin-4-one;5-(4-methyl-1,3-oxazol-2-yl)pyrimidine-4,6-diamine

5-methyl-3-(2-methylphenyl)-2-propylquinazolin-4-one;5-(4-methyl-1,3-oxazol-2-yl)pyrimidine-4,6-diamine (PubChem CID 144810797) has the molecular formula C27H29N7O2 and a molecular weight of 483.58 g/mol. Its IUPAC name is 5-methyl-3-(2-methylphenyl)-2-propylquinazolin-4-one;5-(4-methyl-1,3-oxazol-2-yl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name5-methyl-3-(2-methylphenyl)-2-propylquinazolin-4-one;5-(4-methyl-1,3-oxazol-2-yl)pyrimidine-4,6-diamine
PubChem CID144810797
Molecular FormulaC27H29N7O2
Molecular Weight483.58 g/mol
Exact Mass483.24
IUPAC Name5-methyl-3-(2-methylphenyl)-2-propylquinazolin-4-one;5-(4-methyl-1,3-oxazol-2-yl)pyrimidine-4,6-diamine
SMILESCCCc1nc2cccc(C)c2c(=O)n1-c1ccccc1C.Cc1coc(-c2c(N)ncnc2N)n1
InChIInChI=1S/C19H20N2O.C8H9N5O/c1-4-8-17-20-15-11-7-10-14(3)18(15)19(22)21(17)16-12-6-5-9-13(16)2;1-4-2-14-8(13-4)5-6(9)11-3-12-7(5)10/h5-7,9-12H,4,8H2,1-3H3;2-3H,1H3,(H4,9,10,11,12)
InChIKeyVBRWQWZDNLQWFB-UHFFFAOYSA-N
XLogP4.56
TPSA138.74 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.58
LogP ≤ 54.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

5-methyl-3-(2-methylphenyl)-2-propylquinazolin-4-one;2,4,6-triaminopyrimidine-5-carbonitrile
CID 142525327
2-[[4-amino-3-[(dimethylamino)methyl]pyrazolo[3,4-d]pyrimidin-1-yl]methyl]-5-methyl-3-(2-methylphenyl)quinazolin-4-one
CID 70666942
2-[(4-amino-1,3,5-triazin-2-yl)sulfanylmethyl]-5-methyl-3-(2-methylphenyl)quinazolin-4-one
CID 10221995
2-[[6-amino-8-(4-aminophenyl)purin-9-yl]methyl]-5-methyl-3-(2-methylphenyl)quinazolin-4-one
CID 102343109
5-(3-hydroxyprop-1-ynyl)-3-phenyl-2-propylquinazolin-4-one;5-(3-methyl-1,2,4-oxadiazol-5-yl)pyrimidine-4,6-diamine
CID 142624431
2-[[4-amino-3-[2-(dimethylamino)ethynyl]pyrazolo[3,4-d]pyrimidin-1-yl]methyl]-5-methyl-3-(2-methylphenyl)quinazolin-4-one
CID 145494611
3-(2,3-difluorophenyl)-5-fluoro-2-propylquinazolin-4-one;7H-purin-6-amine
CID 144835287
methyl 2-[5-methyl-3-(2-methylphenyl)-4-oxoquinazolin-2-yl]acetate
CID 139035369
2-[(2-amino-6-chloropurin-9-yl)methyl]-5-methyl-3-(2-methylphenyl)quinazolin-4-one
CID 10181189
2-[[4-amino-3-(3-hydroxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]methyl]-3-(2-bromophenyl)-5-methylquinazolin-4-one
CID 90384111
3-(2,6-difluorophenyl)-5-fluoro-2-propylquinazolin-4-one
CID 144835217
bis(2-[(6-aminopurin-9-yl)methyl]-5-(hydroxymethyl)-3-(2-methylphenyl)-4H-quinazolin-4-ol);bis(2-[(6-aminopurin-9-yl)methyl]-5-methyl-3-(2-methylphenyl)quinazolin-4-one);methane;sulfane
CID 157299605

Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-(2-methylphenyl)-2-propylquinazolin-4-one;5-(4-methyl-1,3-oxazol-2-yl)pyrimidine-4,6-diamine?
The IUPAC name of 5-methyl-3-(2-methylphenyl)-2-propylquinazolin-4-one;5-(4-methyl-1,3-oxazol-2-yl)pyrimidine-4,6-diamine (CID 144810797) is 5-methyl-3-(2-methylphenyl)-2-propylquinazolin-4-one;5-(4-methyl-1,3-oxazol-2-yl)pyrimidine-4,6-diamine.
What is the SMILES notation for 5-methyl-3-(2-methylphenyl)-2-propylquinazolin-4-one;5-(4-methyl-1,3-oxazol-2-yl)pyrimidine-4,6-diamine?
The canonical SMILES for 5-methyl-3-(2-methylphenyl)-2-propylquinazolin-4-one;5-(4-methyl-1,3-oxazol-2-yl)pyrimidine-4,6-diamine is CCCc1nc2cccc(C)c2c(=O)n1-c1ccccc1C.Cc1coc(-c2c(N)ncnc2N)n1.
What is the InChIKey of 5-methyl-3-(2-methylphenyl)-2-propylquinazolin-4-one;5-(4-methyl-1,3-oxazol-2-yl)pyrimidine-4,6-diamine?
The InChIKey is VBRWQWZDNLQWFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O.C8H9N5O/c1-4-8-17-20-15-11-7-10-14(3)18(15)19(22)21(17)16-12-6-5-9-13(16)2;1-4-2-14-8(13-4)5-6(9)11-3-12-7(5)10/h5-7,9-12H,4,8H2,1-3H3;2-3H,1H3,(H4,9,10,11,12).
What are the key properties of 5-methyl-3-(2-methylphenyl)-2-propylquinazolin-4-one;5-(4-methyl-1,3-oxazol-2-yl)pyrimidine-4,6-diamine?
5-methyl-3-(2-methylphenyl)-2-propylquinazolin-4-one;5-(4-methyl-1,3-oxazol-2-yl)pyrimidine-4,6-diamine has a molecular weight of 483.58 g/mol, XLogP of 4.56, 4 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-(2-methylphenyl)-2-propylquinazolin-4-one;5-(4-methyl-1,3-oxazol-2-yl)pyrimidine-4,6-diamine is sourced from PubChem (CID 144810797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).