2-amino-7-[5-methoxy-2-(2-methoxy-1,3-thiazol-4-yl)-4-propan-2-yloxyphenyl]-4-methyl-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-one

C22H25N5O4S — CID 67238438

IUPAC2-amino-7-[5-methoxy-2-(2-methoxy-1,3-thiazol-4-yl)-4-propan-2-yloxyphenyl]-4-methyl-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-one
SMILESCOc1nc(-c2cc(OC(C)C)c(OC)cc2C2Cc3nc(N)nc(C)c3C(=O)N2)cs1
InChIInChI=1S/C22H25N5O4S/c1-10(2)31-18-7-13(16-9-32-22(27-16)30-5)12(6-17(18)29-4)14-8-15-19(20(28)25-14)11(3)24-21(23)26-15/h6-7,9-10,14H,8H2,1-5H3,(H,25,28)(H2,23,24,26)
InChIKeyDULBFNOVZZQNIS-UHFFFAOYSA-N
MW455.54 g/mol
LogP3.32
Rot. Bonds6

About 2-amino-7-[5-methoxy-2-(2-methoxy-1,3-thiazol-4-yl)-4-propan-2-yloxyphenyl]-4-methyl-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-one

2-amino-7-[5-methoxy-2-(2-methoxy-1,3-thiazol-4-yl)-4-propan-2-yloxyphenyl]-4-methyl-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-one (PubChem CID 67238438) has the molecular formula C22H25N5O4S and a molecular weight of 455.54 g/mol. Its IUPAC name is 2-amino-7-[5-methoxy-2-(2-methoxy-1,3-thiazol-4-yl)-4-propan-2-yloxyphenyl]-4-methyl-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-one.

Molecular Properties

Compound Name2-amino-7-[5-methoxy-2-(2-methoxy-1,3-thiazol-4-yl)-4-propan-2-yloxyphenyl]-4-methyl-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-one
PubChem CID67238438
Molecular FormulaC22H25N5O4S
Molecular Weight455.54 g/mol
Exact Mass455.16
IUPAC Name2-amino-7-[5-methoxy-2-(2-methoxy-1,3-thiazol-4-yl)-4-propan-2-yloxyphenyl]-4-methyl-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-one
SMILESCOc1nc(-c2cc(OC(C)C)c(OC)cc2C2Cc3nc(N)nc(C)c3C(=O)N2)cs1
InChIInChI=1S/C22H25N5O4S/c1-10(2)31-18-7-13(16-9-32-22(27-16)30-5)12(6-17(18)29-4)14-8-15-19(20(28)25-14)11(3)24-21(23)26-15/h6-7,9-10,14H,8H2,1-5H3,(H,25,28)(H2,23,24,26)
InChIKeyDULBFNOVZZQNIS-UHFFFAOYSA-N
XLogP3.32
TPSA121.48 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.54
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 2-amino-7-[5-methoxy-2-(2-methoxy-1,3-thiazol-4-yl)-4-propan-2-yloxyphenyl]-4-methyl-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-one with MolForge

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Related Compounds

2-amino-7-[4-fluoro-2-(2-methoxy-1,3-thiazol-5-yl)phenyl]-4-methyl-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-one
CID 67238292
2-amino-7-[5-methoxy-2-(6-methoxy-2-pyridinyl)phenyl]-4-methyl-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-one
CID 67238580
(7R)-2-amino-7-[2-(5,6-dimethoxypyrazin-2-yl)-4-fluorophenyl]-4-methyl-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-one
CID 58882217
2-amino-7-[2-(5-amino-6-methoxypyrazin-2-yl)-4-methoxyphenyl]-4-methyl-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-one
CID 67237495
(7R)-2-amino-7-[4-fluoro-2-(4-methoxypyrimidin-2-yl)phenyl]-4-methyl-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-one
CID 57424817
(7R)-2-amino-7-(4-fluorophenyl)-4-methyl-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-one
CID 57424852
2-amino-7-[2-(2,3-difluorophenyl)-4-fluorophenyl]-4-methyl-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-one
CID 46219836
(7R)-2-amino-7-[2-[5-(dimethylamino)-6-methoxypyrazin-2-yl]phenyl]-4-methyl-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-one
CID 57424925
2-amino-7-[4-fluoro-2-[3-[[4-(trifluoromethoxy)phenoxy]methyl]phenyl]phenyl]-4-methyl-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-one
CID 67065371
5-(2,5-dimethoxy-4-propan-2-yloxyphenyl)-1,2-oxazol-3-amine
CID 117446006
2-amino-7-[4-chloro-2-(6-methoxy-2-pyridinyl)phenyl]-4-methyl-7,8-dihydro-6H-quinazolin-5-one
CID 69449507
(7R)-2-amino-7-[5-methoxy-2-(6-methoxy-2-pyridinyl)phenyl]-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-one
CID 57424930

Frequently Asked Questions

What is the IUPAC name of 2-amino-7-[5-methoxy-2-(2-methoxy-1,3-thiazol-4-yl)-4-propan-2-yloxyphenyl]-4-methyl-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-one?
The IUPAC name of 2-amino-7-[5-methoxy-2-(2-methoxy-1,3-thiazol-4-yl)-4-propan-2-yloxyphenyl]-4-methyl-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-one (CID 67238438) is 2-amino-7-[5-methoxy-2-(2-methoxy-1,3-thiazol-4-yl)-4-propan-2-yloxyphenyl]-4-methyl-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-one.
What is the SMILES notation for 2-amino-7-[5-methoxy-2-(2-methoxy-1,3-thiazol-4-yl)-4-propan-2-yloxyphenyl]-4-methyl-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-one?
The canonical SMILES for 2-amino-7-[5-methoxy-2-(2-methoxy-1,3-thiazol-4-yl)-4-propan-2-yloxyphenyl]-4-methyl-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-one is COc1nc(-c2cc(OC(C)C)c(OC)cc2C2Cc3nc(N)nc(C)c3C(=O)N2)cs1.
What is the InChIKey of 2-amino-7-[5-methoxy-2-(2-methoxy-1,3-thiazol-4-yl)-4-propan-2-yloxyphenyl]-4-methyl-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-one?
The InChIKey is DULBFNOVZZQNIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O4S/c1-10(2)31-18-7-13(16-9-32-22(27-16)30-5)12(6-17(18)29-4)14-8-15-19(20(28)25-14)11(3)24-21(23)26-15/h6-7,9-10,14H,8H2,1-5H3,(H,25,28)(H2,23,24,26).
What are the key properties of 2-amino-7-[5-methoxy-2-(2-methoxy-1,3-thiazol-4-yl)-4-propan-2-yloxyphenyl]-4-methyl-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-one?
2-amino-7-[5-methoxy-2-(2-methoxy-1,3-thiazol-4-yl)-4-propan-2-yloxyphenyl]-4-methyl-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-one has a molecular weight of 455.54 g/mol, XLogP of 3.32, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-7-[5-methoxy-2-(2-methoxy-1,3-thiazol-4-yl)-4-propan-2-yloxyphenyl]-4-methyl-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-one is sourced from PubChem (CID 67238438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).