1-[4-[7-(2-chloro-6-methylpyrimidin-4-yl)-4-morpholin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]phenyl]-3-ethylurea;1-[4-[7-(4-chloro-6-methylpyrimidin-2-yl)-4-morpholin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]phenyl]-3-ethylurea

C50H58Cl2N16O4 — CID 159788878

About 1-[4-[7-(2-chloro-6-methylpyrimidin-4-yl)-4-morpholin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]phenyl]-3-ethylurea;1-[4-[7-(4-chloro-6-methylpyrimidin-2-yl)-4-morpholin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]phenyl]-3-ethylurea

1-[4-[7-(2-chloro-6-methylpyrimidin-4-yl)-4-morpholin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]phenyl]-3-ethylurea;1-[4-[7-(4-chloro-6-methylpyrimidin-2-yl)-4-morpholin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]phenyl]-3-ethylurea (PubChem CID 159788878) has the molecular formula C50H58Cl2N16O4 and a molecular weight of 1018.03 g/mol. Its IUPAC name is 1-[4-[7-(2-chloro-6-methylpyrimidin-4-yl)-4-morpholin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]phenyl]-3-ethylurea;1-[4-[7-(4-chloro-6-methylpyrimidin-2-yl)-4-morpholin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]phenyl]-3-ethylurea.

Molecular Properties

• Compound Name: 1-[4-[7-(2-chloro-6-methylpyrimidin-4-yl)-4-morpholin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]phenyl]-3-ethylurea;1-[4-[7-(4-chloro-6-methylpyrimidin-2-yl)-4-morpholin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]phenyl]-3-ethylurea
• PubChem CID: 159788878
• Molecular Formula: C50H58Cl2N16O4
• Molecular Weight: 1018.03 g/mol
• Exact Mass: 1016.42
• IUPAC Name: 1-[4-[7-(2-chloro-6-methylpyrimidin-4-yl)-4-morpholin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]phenyl]-3-ethylurea;1-[4-[7-(4-chloro-6-methylpyrimidin-2-yl)-4-morpholin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]phenyl]-3-ethylurea
• SMILES: CCNC(=O)Nc1ccc(-c2nc3c(c(N4CCOCC4)n2)CCN(c2cc(C)nc(Cl)n2)C3)cc1.CCNC(=O)Nc1ccc(-c2nc3c(c(N4CCOCC4)n2)CCN(c2nc(C)cc(Cl)n2)C3)cc1
• InChI: InChI=1S/2C25H29ClN8O2/c1-3-27-25(35)29-18-6-4-17(5-7-18)22-30-20-15-34(21-14-16(2)28-24(26)31-21)9-8-19(20)23(32-22)33-10-12-36-13-11-33;1-3-27-25(35)29-18-6-4-17(5-7-18)22-30-20-15-34(24-28-16(2)14-21(26)31-24)9-8-19(20)23(32-22)33-10-12-36-13-11-33/h2*4-7,14H,3,8-13,15H2,1-2H3,(H2,27,29,35)
• InChIKey: NIHLNZQFBWXVRB-UHFFFAOYSA-N
• XLogP: 6.87
• TPSA: 216.80 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 16
• Rotatable Bonds: 10
• Heavy Atoms: 72
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1018.03
LogP ≤ 5	6.87
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	16

Frequently Asked Questions

What is the IUPAC name of 1-[4-[7-(2-chloro-6-methylpyrimidin-4-yl)-4-morpholin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]phenyl]-3-ethylurea;1-[4-[7-(4-chloro-6-methylpyrimidin-2-yl)-4-morpholin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]phenyl]-3-ethylurea?

The IUPAC name of 1-[4-[7-(2-chloro-6-methylpyrimidin-4-yl)-4-morpholin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]phenyl]-3-ethylurea;1-[4-[7-(4-chloro-6-methylpyrimidin-2-yl)-4-morpholin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]phenyl]-3-ethylurea (CID 159788878) is 1-[4-[7-(2-chloro-6-methylpyrimidin-4-yl)-4-morpholin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]phenyl]-3-ethylurea;1-[4-[7-(4-chloro-6-methylpyrimidin-2-yl)-4-morpholin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]phenyl]-3-ethylurea.

What is the SMILES notation for 1-[4-[7-(2-chloro-6-methylpyrimidin-4-yl)-4-morpholin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]phenyl]-3-ethylurea;1-[4-[7-(4-chloro-6-methylpyrimidin-2-yl)-4-morpholin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]phenyl]-3-ethylurea?

The canonical SMILES for 1-[4-[7-(2-chloro-6-methylpyrimidin-4-yl)-4-morpholin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]phenyl]-3-ethylurea;1-[4-[7-(4-chloro-6-methylpyrimidin-2-yl)-4-morpholin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]phenyl]-3-ethylurea is CCNC(=O)Nc1ccc(-c2nc3c(c(N4CCOCC4)n2)CCN(c2cc(C)nc(Cl)n2)C3)cc1.CCNC(=O)Nc1ccc(-c2nc3c(c(N4CCOCC4)n2)CCN(c2nc(C)cc(Cl)n2)C3)cc1.

What is the InChIKey of 1-[4-[7-(2-chloro-6-methylpyrimidin-4-yl)-4-morpholin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]phenyl]-3-ethylurea;1-[4-[7-(4-chloro-6-methylpyrimidin-2-yl)-4-morpholin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]phenyl]-3-ethylurea?

The InChIKey is NIHLNZQFBWXVRB-UHFFFAOYSA-N. The full InChI is InChI=1S/2C25H29ClN8O2/c1-3-27-25(35)29-18-6-4-17(5-7-18)22-30-20-15-34(21-14-16(2)28-24(26)31-21)9-8-19(20)23(32-22)33-10-12-36-13-11-33;1-3-27-25(35)29-18-6-4-17(5-7-18)22-30-20-15-34(24-28-16(2)14-21(26)31-24)9-8-19(20)23(32-22)33-10-12-36-13-11-33/h2*4-7,14H,3,8-13,15H2,1-2H3,(H2,27,29,35).

What are the key properties of 1-[4-[7-(2-chloro-6-methylpyrimidin-4-yl)-4-morpholin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]phenyl]-3-ethylurea;1-[4-[7-(4-chloro-6-methylpyrimidin-2-yl)-4-morpholin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]phenyl]-3-ethylurea?

1-[4-[7-(2-chloro-6-methylpyrimidin-4-yl)-4-morpholin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]phenyl]-3-ethylurea;1-[4-[7-(4-chloro-6-methylpyrimidin-2-yl)-4-morpholin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]phenyl]-3-ethylurea has a molecular weight of 1018.03 g/mol, XLogP of 6.87, 10 rotatable bonds, 4 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-[7-(2-chloro-6-methylpyrimidin-4-yl)-4-morpholin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]phenyl]-3-ethylurea;1-[4-[7-(4-chloro-6-methylpyrimidin-2-yl)-4-morpholin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]phenyl]-3-ethylurea is sourced from PubChem (CID 159788878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).