methyl 2-[2-[4-(ethylcarbamoylamino)phenyl]-4-morpholin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-6-methylpyrimidine-4-carboxylate

C27H32N8O4 — CID 59239507

About methyl 2-[2-[4-(ethylcarbamoylamino)phenyl]-4-morpholin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-6-methylpyrimidine-4-carboxylate

methyl 2-[2-[4-(ethylcarbamoylamino)phenyl]-4-morpholin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-6-methylpyrimidine-4-carboxylate (PubChem CID 59239507) has the molecular formula C27H32N8O4 and a molecular weight of 532.61 g/mol. Its IUPAC name is methyl 2-[2-[4-(ethylcarbamoylamino)phenyl]-4-morpholin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-6-methylpyrimidine-4-carboxylate.

Molecular Properties

• Compound Name: methyl 2-[2-[4-(ethylcarbamoylamino)phenyl]-4-morpholin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-6-methylpyrimidine-4-carboxylate
• PubChem CID: 59239507
• Molecular Formula: C27H32N8O4
• Molecular Weight: 532.61 g/mol
• Exact Mass: 532.25
• IUPAC Name: methyl 2-[2-[4-(ethylcarbamoylamino)phenyl]-4-morpholin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-6-methylpyrimidine-4-carboxylate
• SMILES: CCNC(=O)Nc1ccc(-c2nc3c(c(N4CCOCC4)n2)CCN(c2nc(C)cc(C(=O)OC)n2)C3)cc1
• InChI: InChI=1S/C27H32N8O4/c1-4-28-27(37)30-19-7-5-18(6-8-19)23-31-22-16-35(26-29-17(2)15-21(32-26)25(36)38-3)10-9-20(22)24(33-23)34-11-13-39-14-12-34/h5-8,15H,4,9-14,16H2,1-3H3,(H2,28,30,37)
• InChIKey: WRRJUFVIUJAMNQ-UHFFFAOYSA-N
• XLogP: 2.57
• TPSA: 134.70 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 6
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	532.61
LogP ≤ 5	2.57
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-[4-(ethylcarbamoylamino)phenyl]-4-morpholin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-6-methylpyrimidine-4-carboxylate?

The IUPAC name of methyl 2-[2-[4-(ethylcarbamoylamino)phenyl]-4-morpholin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-6-methylpyrimidine-4-carboxylate (CID 59239507) is methyl 2-[2-[4-(ethylcarbamoylamino)phenyl]-4-morpholin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-6-methylpyrimidine-4-carboxylate.

What is the SMILES notation for methyl 2-[2-[4-(ethylcarbamoylamino)phenyl]-4-morpholin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-6-methylpyrimidine-4-carboxylate?

The canonical SMILES for methyl 2-[2-[4-(ethylcarbamoylamino)phenyl]-4-morpholin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-6-methylpyrimidine-4-carboxylate is CCNC(=O)Nc1ccc(-c2nc3c(c(N4CCOCC4)n2)CCN(c2nc(C)cc(C(=O)OC)n2)C3)cc1.

What is the InChIKey of methyl 2-[2-[4-(ethylcarbamoylamino)phenyl]-4-morpholin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-6-methylpyrimidine-4-carboxylate?

The InChIKey is WRRJUFVIUJAMNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N8O4/c1-4-28-27(37)30-19-7-5-18(6-8-19)23-31-22-16-35(26-29-17(2)15-21(32-26)25(36)38-3)10-9-20(22)24(33-23)34-11-13-39-14-12-34/h5-8,15H,4,9-14,16H2,1-3H3,(H2,28,30,37).

What are the key properties of methyl 2-[2-[4-(ethylcarbamoylamino)phenyl]-4-morpholin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-6-methylpyrimidine-4-carboxylate?

methyl 2-[2-[4-(ethylcarbamoylamino)phenyl]-4-morpholin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-6-methylpyrimidine-4-carboxylate has a molecular weight of 532.61 g/mol, XLogP of 2.57, 6 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for methyl 2-[2-[4-(ethylcarbamoylamino)phenyl]-4-morpholin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-6-methylpyrimidine-4-carboxylate is sourced from PubChem (CID 59239507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).