2-(ethoxymethyl)-7-(3-methyl-2-pyridinyl)-N-(2,4,4-trimethyl-1,3-dihydroisoquinolin-7-yl)pyrido[2,3-d]pyrimidin-4-amine

C28H32N6O — CID 11408756

IUPAC2-(ethoxymethyl)-7-(3-methyl-2-pyridinyl)-N-(2,4,4-trimethyl-1,3-dihydroisoquinolin-7-yl)pyrido[2,3-d]pyrimidin-4-amine
SMILESCCOCc1nc(Nc2ccc3c(c2)CN(C)CC3(C)C)c2ccc(-c3ncccc3C)nc2n1
InChIInChI=1S/C28H32N6O/c1-6-35-16-24-32-26(30-20-9-11-22-19(14-20)15-34(5)17-28(22,3)4)21-10-12-23(31-27(21)33-24)25-18(2)8-7-13-29-25/h7-14H,6,15-17H2,1-5H3,(H,30,31,32,33)
InChIKeyULYHLTQGPSTNIH-UHFFFAOYSA-N
MW468.61 g/mol
LogP5.40
Rot. Bonds6

About 2-(ethoxymethyl)-7-(3-methyl-2-pyridinyl)-N-(2,4,4-trimethyl-1,3-dihydroisoquinolin-7-yl)pyrido[2,3-d]pyrimidin-4-amine

2-(ethoxymethyl)-7-(3-methyl-2-pyridinyl)-N-(2,4,4-trimethyl-1,3-dihydroisoquinolin-7-yl)pyrido[2,3-d]pyrimidin-4-amine (PubChem CID 11408756) has the molecular formula C28H32N6O and a molecular weight of 468.61 g/mol. Its IUPAC name is 2-(ethoxymethyl)-7-(3-methyl-2-pyridinyl)-N-(2,4,4-trimethyl-1,3-dihydroisoquinolin-7-yl)pyrido[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-(ethoxymethyl)-7-(3-methyl-2-pyridinyl)-N-(2,4,4-trimethyl-1,3-dihydroisoquinolin-7-yl)pyrido[2,3-d]pyrimidin-4-amine
PubChem CID11408756
Molecular FormulaC28H32N6O
Molecular Weight468.61 g/mol
Exact Mass468.26
IUPAC Name2-(ethoxymethyl)-7-(3-methyl-2-pyridinyl)-N-(2,4,4-trimethyl-1,3-dihydroisoquinolin-7-yl)pyrido[2,3-d]pyrimidin-4-amine
SMILESCCOCc1nc(Nc2ccc3c(c2)CN(C)CC3(C)C)c2ccc(-c3ncccc3C)nc2n1
InChIInChI=1S/C28H32N6O/c1-6-35-16-24-32-26(30-20-9-11-22-19(14-20)15-34(5)17-28(22,3)4)21-10-12-23(31-27(21)33-24)25-18(2)8-7-13-29-25/h7-14H,6,15-17H2,1-5H3,(H,30,31,32,33)
InChIKeyULYHLTQGPSTNIH-UHFFFAOYSA-N
XLogP5.40
TPSA76.06 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.61
LogP ≤ 55.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(ethoxymethyl)-7-(3-methyl-2-pyridinyl)-N-(2,4,4-trimethyl-1,3-dihydroisoquinolin-7-yl)pyrido[2,3-d]pyrimidin-4-amine?
The IUPAC name of 2-(ethoxymethyl)-7-(3-methyl-2-pyridinyl)-N-(2,4,4-trimethyl-1,3-dihydroisoquinolin-7-yl)pyrido[2,3-d]pyrimidin-4-amine (CID 11408756) is 2-(ethoxymethyl)-7-(3-methyl-2-pyridinyl)-N-(2,4,4-trimethyl-1,3-dihydroisoquinolin-7-yl)pyrido[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 2-(ethoxymethyl)-7-(3-methyl-2-pyridinyl)-N-(2,4,4-trimethyl-1,3-dihydroisoquinolin-7-yl)pyrido[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 2-(ethoxymethyl)-7-(3-methyl-2-pyridinyl)-N-(2,4,4-trimethyl-1,3-dihydroisoquinolin-7-yl)pyrido[2,3-d]pyrimidin-4-amine is CCOCc1nc(Nc2ccc3c(c2)CN(C)CC3(C)C)c2ccc(-c3ncccc3C)nc2n1.
What is the InChIKey of 2-(ethoxymethyl)-7-(3-methyl-2-pyridinyl)-N-(2,4,4-trimethyl-1,3-dihydroisoquinolin-7-yl)pyrido[2,3-d]pyrimidin-4-amine?
The InChIKey is ULYHLTQGPSTNIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N6O/c1-6-35-16-24-32-26(30-20-9-11-22-19(14-20)15-34(5)17-28(22,3)4)21-10-12-23(31-27(21)33-24)25-18(2)8-7-13-29-25/h7-14H,6,15-17H2,1-5H3,(H,30,31,32,33).
What are the key properties of 2-(ethoxymethyl)-7-(3-methyl-2-pyridinyl)-N-(2,4,4-trimethyl-1,3-dihydroisoquinolin-7-yl)pyrido[2,3-d]pyrimidin-4-amine?
2-(ethoxymethyl)-7-(3-methyl-2-pyridinyl)-N-(2,4,4-trimethyl-1,3-dihydroisoquinolin-7-yl)pyrido[2,3-d]pyrimidin-4-amine has a molecular weight of 468.61 g/mol, XLogP of 5.40, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethoxymethyl)-7-(3-methyl-2-pyridinyl)-N-(2,4,4-trimethyl-1,3-dihydroisoquinolin-7-yl)pyrido[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 11408756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).