2-N-(6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-4-N-(2-methoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine

C24H26N6O2 — CID 168870299

IUPAC2-N-(6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-4-N-(2-methoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine
SMILESCOc1cc2c(cc1Nc1nc(Nc3ccccc3OC)c3cc[nH]c3n1)CN(C)CC2
InChIInChI=1S/C24H26N6O2/c1-30-11-9-15-13-21(32-3)19(12-16(15)14-30)27-24-28-22-17(8-10-25-22)23(29-24)26-18-6-4-5-7-20(18)31-2/h4-8,10,12-13H,9,11,14H2,1-3H3,(H3,25,26,27,28,29)
InChIKeyVVQNVWAHPADJAA-UHFFFAOYSA-N
MW430.51 g/mol
LogP4.45
Rot. Bonds6

About 2-N-(6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-4-N-(2-methoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine

2-N-(6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-4-N-(2-methoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine (PubChem CID 168870299) has the molecular formula C24H26N6O2 and a molecular weight of 430.51 g/mol. Its IUPAC name is 2-N-(6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-4-N-(2-methoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-(6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-4-N-(2-methoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine
PubChem CID168870299
Molecular FormulaC24H26N6O2
Molecular Weight430.51 g/mol
Exact Mass430.21
IUPAC Name2-N-(6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-4-N-(2-methoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine
SMILESCOc1cc2c(cc1Nc1nc(Nc3ccccc3OC)c3cc[nH]c3n1)CN(C)CC2
InChIInChI=1S/C24H26N6O2/c1-30-11-9-15-13-21(32-3)19(12-16(15)14-30)27-24-28-22-17(8-10-25-22)23(29-24)26-18-6-4-5-7-20(18)31-2/h4-8,10,12-13H,9,11,14H2,1-3H3,(H3,25,26,27,28,29)
InChIKeyVVQNVWAHPADJAA-UHFFFAOYSA-N
XLogP4.45
TPSA87.33 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.51
LogP ≤ 54.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 2-N-(6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-4-N-(2-methoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-N-(6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-4-N-(2-methoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine?
The IUPAC name of 2-N-(6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-4-N-(2-methoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine (CID 168870299) is 2-N-(6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-4-N-(2-methoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-(6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-4-N-(2-methoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine?
The canonical SMILES for 2-N-(6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-4-N-(2-methoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine is COc1cc2c(cc1Nc1nc(Nc3ccccc3OC)c3cc[nH]c3n1)CN(C)CC2.
What is the InChIKey of 2-N-(6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-4-N-(2-methoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine?
The InChIKey is VVQNVWAHPADJAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N6O2/c1-30-11-9-15-13-21(32-3)19(12-16(15)14-30)27-24-28-22-17(8-10-25-22)23(29-24)26-18-6-4-5-7-20(18)31-2/h4-8,10,12-13H,9,11,14H2,1-3H3,(H3,25,26,27,28,29).
What are the key properties of 2-N-(6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-4-N-(2-methoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine?
2-N-(6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-4-N-(2-methoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine has a molecular weight of 430.51 g/mol, XLogP of 4.45, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-4-N-(2-methoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine is sourced from PubChem (CID 168870299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).