3-(2-methoxy-N-methylanilino)-1-[(3R)-3-[6-methyl-4-(methylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]pyrrolidin-1-yl]propan-1-one

C24H34N6O2 — CID 124987538

About 3-(2-methoxy-N-methylanilino)-1-[(3R)-3-[6-methyl-4-(methylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]pyrrolidin-1-yl]propan-1-one

3-(2-methoxy-N-methylanilino)-1-[(3R)-3-[6-methyl-4-(methylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]pyrrolidin-1-yl]propan-1-one (PubChem CID 124987538) has the molecular formula C24H34N6O2 and a molecular weight of 438.58 g/mol. Its IUPAC name is 3-(2-methoxy-N-methylanilino)-1-[(3R)-3-[6-methyl-4-(methylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]pyrrolidin-1-yl]propan-1-one.

Molecular Properties

• Compound Name: 3-(2-methoxy-N-methylanilino)-1-[(3R)-3-[6-methyl-4-(methylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]pyrrolidin-1-yl]propan-1-one
• PubChem CID: 124987538
• Molecular Formula: C24H34N6O2
• Molecular Weight: 438.58 g/mol
• Exact Mass: 438.27
• IUPAC Name: 3-(2-methoxy-N-methylanilino)-1-[(3R)-3-[6-methyl-4-(methylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]pyrrolidin-1-yl]propan-1-one
• SMILES: CNc1nc([C@@H]2CCN(C(=O)CCN(C)c3ccccc3OC)C2)nc2c1CN(C)CC2
• InChI: InChI=1S/C24H34N6O2/c1-25-24-18-16-28(2)12-10-19(18)26-23(27-24)17-9-14-30(15-17)22(31)11-13-29(3)20-7-5-6-8-21(20)32-4/h5-8,17H,9-16H2,1-4H3,(H,25,26,27)/t17-/m1/s1
• InChIKey: OGLYWHAVZKFRAS-QGZVFWFLSA-N
• XLogP: 2.36
• TPSA: 73.83 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	438.58
LogP ≤ 5	2.36
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxy-N-methylanilino)-1-[(3R)-3-[6-methyl-4-(methylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]pyrrolidin-1-yl]propan-1-one?

The IUPAC name of 3-(2-methoxy-N-methylanilino)-1-[(3R)-3-[6-methyl-4-(methylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]pyrrolidin-1-yl]propan-1-one (CID 124987538) is 3-(2-methoxy-N-methylanilino)-1-[(3R)-3-[6-methyl-4-(methylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]pyrrolidin-1-yl]propan-1-one.

What is the SMILES notation for 3-(2-methoxy-N-methylanilino)-1-[(3R)-3-[6-methyl-4-(methylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]pyrrolidin-1-yl]propan-1-one?

The canonical SMILES for 3-(2-methoxy-N-methylanilino)-1-[(3R)-3-[6-methyl-4-(methylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]pyrrolidin-1-yl]propan-1-one is CNc1nc([C@@H]2CCN(C(=O)CCN(C)c3ccccc3OC)C2)nc2c1CN(C)CC2.

What is the InChIKey of 3-(2-methoxy-N-methylanilino)-1-[(3R)-3-[6-methyl-4-(methylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]pyrrolidin-1-yl]propan-1-one?

The InChIKey is OGLYWHAVZKFRAS-QGZVFWFLSA-N. The full InChI is InChI=1S/C24H34N6O2/c1-25-24-18-16-28(2)12-10-19(18)26-23(27-24)17-9-14-30(15-17)22(31)11-13-29(3)20-7-5-6-8-21(20)32-4/h5-8,17H,9-16H2,1-4H3,(H,25,26,27)/t17-/m1/s1.

What are the key properties of 3-(2-methoxy-N-methylanilino)-1-[(3R)-3-[6-methyl-4-(methylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]pyrrolidin-1-yl]propan-1-one?

3-(2-methoxy-N-methylanilino)-1-[(3R)-3-[6-methyl-4-(methylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]pyrrolidin-1-yl]propan-1-one has a molecular weight of 438.58 g/mol, XLogP of 2.36, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(2-methoxy-N-methylanilino)-1-[(3R)-3-[6-methyl-4-(methylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]pyrrolidin-1-yl]propan-1-one is sourced from PubChem (CID 124987538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).