6-ethoxy-2-methyl-N-[(1R)-1-(3-methylsulfonylphenyl)ethyl]pyrido[3,4-d]pyrimidin-4-amine

C19H22N4O3S — CID 146197287

IUPAC6-ethoxy-2-methyl-N-[(1R)-1-(3-methylsulfonylphenyl)ethyl]pyrido[3,4-d]pyrimidin-4-amine
SMILESCCOc1cc2c(N[C@H](C)c3cccc(S(C)(=O)=O)c3)nc(C)nc2cn1
InChIInChI=1S/C19H22N4O3S/c1-5-26-18-10-16-17(11-20-18)22-13(3)23-19(16)21-12(2)14-7-6-8-15(9-14)27(4,24)25/h6-12H,5H2,1-4H3,(H,21,22,23)/t12-/m1/s1
InChIKeySIFHFBQWQKWJPQ-GFCCVEGCSA-N
MW386.48 g/mol
LogP3.31
Rot. Bonds6

About 6-ethoxy-2-methyl-N-[(1R)-1-(3-methylsulfonylphenyl)ethyl]pyrido[3,4-d]pyrimidin-4-amine

6-ethoxy-2-methyl-N-[(1R)-1-(3-methylsulfonylphenyl)ethyl]pyrido[3,4-d]pyrimidin-4-amine (PubChem CID 146197287) has the molecular formula C19H22N4O3S and a molecular weight of 386.48 g/mol. Its IUPAC name is 6-ethoxy-2-methyl-N-[(1R)-1-(3-methylsulfonylphenyl)ethyl]pyrido[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name6-ethoxy-2-methyl-N-[(1R)-1-(3-methylsulfonylphenyl)ethyl]pyrido[3,4-d]pyrimidin-4-amine
PubChem CID146197287
Molecular FormulaC19H22N4O3S
Molecular Weight386.48 g/mol
Exact Mass386.14
IUPAC Name6-ethoxy-2-methyl-N-[(1R)-1-(3-methylsulfonylphenyl)ethyl]pyrido[3,4-d]pyrimidin-4-amine
SMILESCCOc1cc2c(N[C@H](C)c3cccc(S(C)(=O)=O)c3)nc(C)nc2cn1
InChIInChI=1S/C19H22N4O3S/c1-5-26-18-10-16-17(11-20-18)22-13(3)23-19(16)21-12(2)14-7-6-8-15(9-14)27(4,24)25/h6-12H,5H2,1-4H3,(H,21,22,23)/t12-/m1/s1
InChIKeySIFHFBQWQKWJPQ-GFCCVEGCSA-N
XLogP3.31
TPSA94.07 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.48
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-(2-(6-Methoxypyridin-3-ylamino)-5-(4-(methylsulfonyl)benzyl)pyridin-3-yl)-6-methyl-1,3,5-triazin-2-amine
CID 59548462
6-(2-fluoro-6-(methylsulfonyl)phenoxy)-N-(pyrazin-2-yl)quinazolin-4-amine
CID 11711284
N-(5-chloropyrazin-2-yl)-6-(2-fluoro-6-(methylsulfonyl)phenoxy)quinazolin-4-amine
CID 23160285
6-(2-fluoro-6-(methylsulfonyl)phenoxy)-N-(5-methylpyrazin-2-yl)quinazolin-4-amine
CID 23160316
N-[5-(2-amino-4-methylpyrido[2,3-d]pyrimidin-6-yl)-2-methoxy-3-pyridinyl]benzenesulfonamide
CID 118321320
6-[2-(dimethylamino)ethoxy]-N-[1-[5-[2-[(dimethylamino)methyl]phenyl]thiophen-2-yl]ethyl]-2-methylpyrido[3,4-d]pyrimidin-4-amine
CID 146197294
4-[[2-Methyl-4-[1-[5-[2-(methylaminomethyl)phenyl]thiophen-2-yl]ethylamino]pyrido[3,4-d]pyrimidin-6-yl]oxymethyl]piperidin-2-one
CID 146197389
N-[(1R)-1-(4-fluorophenyl)ethyl]-6-(2-methoxyethoxy)-2-methylpyrido[3,4-d]pyrimidin-4-amine
CID 146197393
N-[1-[5-[2-[(dimethylamino)methyl]phenyl]thiophen-2-yl]ethyl]-2-methyl-6-propoxypyrido[3,4-d]pyrimidin-4-amine
CID 146197468
US20240025922, Example 145
CID 170324490
4-(2-(5-Fluoro-6-methoxypyridin-3-ylamino)-5-(1-(4-(methylsulfonyl)phenyl)ethyl)pyridin-3-yl)-6-methyl-1,3,5-triazin-2-amine
CID 59548386
6-fluoro-7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-2-N-(4-methylsulfonylphenyl)quinazoline-2,5-diamine
CID 164514625

Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-2-methyl-N-[(1R)-1-(3-methylsulfonylphenyl)ethyl]pyrido[3,4-d]pyrimidin-4-amine?
The IUPAC name of 6-ethoxy-2-methyl-N-[(1R)-1-(3-methylsulfonylphenyl)ethyl]pyrido[3,4-d]pyrimidin-4-amine (CID 146197287) is 6-ethoxy-2-methyl-N-[(1R)-1-(3-methylsulfonylphenyl)ethyl]pyrido[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 6-ethoxy-2-methyl-N-[(1R)-1-(3-methylsulfonylphenyl)ethyl]pyrido[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 6-ethoxy-2-methyl-N-[(1R)-1-(3-methylsulfonylphenyl)ethyl]pyrido[3,4-d]pyrimidin-4-amine is CCOc1cc2c(N[C@H](C)c3cccc(S(C)(=O)=O)c3)nc(C)nc2cn1.
What is the InChIKey of 6-ethoxy-2-methyl-N-[(1R)-1-(3-methylsulfonylphenyl)ethyl]pyrido[3,4-d]pyrimidin-4-amine?
The InChIKey is SIFHFBQWQKWJPQ-GFCCVEGCSA-N. The full InChI is InChI=1S/C19H22N4O3S/c1-5-26-18-10-16-17(11-20-18)22-13(3)23-19(16)21-12(2)14-7-6-8-15(9-14)27(4,24)25/h6-12H,5H2,1-4H3,(H,21,22,23)/t12-/m1/s1.
What are the key properties of 6-ethoxy-2-methyl-N-[(1R)-1-(3-methylsulfonylphenyl)ethyl]pyrido[3,4-d]pyrimidin-4-amine?
6-ethoxy-2-methyl-N-[(1R)-1-(3-methylsulfonylphenyl)ethyl]pyrido[3,4-d]pyrimidin-4-amine has a molecular weight of 386.48 g/mol, XLogP of 3.31, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-2-methyl-N-[(1R)-1-(3-methylsulfonylphenyl)ethyl]pyrido[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 146197287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).