4-[(2-chlorofuro[3,2-d]pyrimidin-4-yl)amino]cyclohexan-1-ol;2-methyl-N-[4-(7-morpholin-4-ylquinazolin-5-yl)oxycyclohexyl]-6,7-dihydrofuro[3,2-d]pyrimidin-4-amine

C37H44ClN9O5 — CID 139330580

About 4-[(2-chlorofuro[3,2-d]pyrimidin-4-yl)amino]cyclohexan-1-ol;2-methyl-N-[4-(7-morpholin-4-ylquinazolin-5-yl)oxycyclohexyl]-6,7-dihydrofuro[3,2-d]pyrimidin-4-amine

4-[(2-chlorofuro[3,2-d]pyrimidin-4-yl)amino]cyclohexan-1-ol;2-methyl-N-[4-(7-morpholin-4-ylquinazolin-5-yl)oxycyclohexyl]-6,7-dihydrofuro[3,2-d]pyrimidin-4-amine (PubChem CID 139330580) has the molecular formula C37H44ClN9O5 and a molecular weight of 730.27 g/mol. Its IUPAC name is 4-[(2-chlorofuro[3,2-d]pyrimidin-4-yl)amino]cyclohexan-1-ol;2-methyl-N-[4-(7-morpholin-4-ylquinazolin-5-yl)oxycyclohexyl]-6,7-dihydrofuro[3,2-d]pyrimidin-4-amine.

Molecular Properties

• Compound Name: 4-[(2-chlorofuro[3,2-d]pyrimidin-4-yl)amino]cyclohexan-1-ol;2-methyl-N-[4-(7-morpholin-4-ylquinazolin-5-yl)oxycyclohexyl]-6,7-dihydrofuro[3,2-d]pyrimidin-4-amine
• PubChem CID: 139330580
• Molecular Formula: C37H44ClN9O5
• Molecular Weight: 730.27 g/mol
• Exact Mass: 729.32
• IUPAC Name: 4-[(2-chlorofuro[3,2-d]pyrimidin-4-yl)amino]cyclohexan-1-ol;2-methyl-N-[4-(7-morpholin-4-ylquinazolin-5-yl)oxycyclohexyl]-6,7-dihydrofuro[3,2-d]pyrimidin-4-amine
• SMILES: Cc1nc2c(c(NC3CCC(Oc4cc(N5CCOCC5)cc5ncncc45)CC3)n1)OCC2.OC1CCC(Nc2nc(Cl)nc3ccoc23)CC1
• InChI: InChI=1S/C25H30N6O3.C12H14ClN3O2/c1-16-28-21-6-9-33-24(21)25(29-16)30-17-2-4-19(5-3-17)34-23-13-18(31-7-10-32-11-8-31)12-22-20(23)14-26-15-27-22;13-12-15-9-5-6-18-10(9)11(16-12)14-7-1-3-8(17)4-2-7/h12-15,17,19H,2-11H2,1H3,(H,28,29,30);5-8,17H,1-4H2,(H,14,15,16)
• InChIKey: PWUHNHFIRPAPLS-UHFFFAOYSA-N
• XLogP: 5.89
• TPSA: 165.70 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 14
• Rotatable Bonds: 7
• Heavy Atoms: 52
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	730.27
LogP ≤ 5	5.89
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	14

Frequently Asked Questions

What is the IUPAC name of 4-[(2-chlorofuro[3,2-d]pyrimidin-4-yl)amino]cyclohexan-1-ol;2-methyl-N-[4-(7-morpholin-4-ylquinazolin-5-yl)oxycyclohexyl]-6,7-dihydrofuro[3,2-d]pyrimidin-4-amine?

The IUPAC name of 4-[(2-chlorofuro[3,2-d]pyrimidin-4-yl)amino]cyclohexan-1-ol;2-methyl-N-[4-(7-morpholin-4-ylquinazolin-5-yl)oxycyclohexyl]-6,7-dihydrofuro[3,2-d]pyrimidin-4-amine (CID 139330580) is 4-[(2-chlorofuro[3,2-d]pyrimidin-4-yl)amino]cyclohexan-1-ol;2-methyl-N-[4-(7-morpholin-4-ylquinazolin-5-yl)oxycyclohexyl]-6,7-dihydrofuro[3,2-d]pyrimidin-4-amine.

What is the SMILES notation for 4-[(2-chlorofuro[3,2-d]pyrimidin-4-yl)amino]cyclohexan-1-ol;2-methyl-N-[4-(7-morpholin-4-ylquinazolin-5-yl)oxycyclohexyl]-6,7-dihydrofuro[3,2-d]pyrimidin-4-amine?

The canonical SMILES for 4-[(2-chlorofuro[3,2-d]pyrimidin-4-yl)amino]cyclohexan-1-ol;2-methyl-N-[4-(7-morpholin-4-ylquinazolin-5-yl)oxycyclohexyl]-6,7-dihydrofuro[3,2-d]pyrimidin-4-amine is Cc1nc2c(c(NC3CCC(Oc4cc(N5CCOCC5)cc5ncncc45)CC3)n1)OCC2.OC1CCC(Nc2nc(Cl)nc3ccoc23)CC1.

What is the InChIKey of 4-[(2-chlorofuro[3,2-d]pyrimidin-4-yl)amino]cyclohexan-1-ol;2-methyl-N-[4-(7-morpholin-4-ylquinazolin-5-yl)oxycyclohexyl]-6,7-dihydrofuro[3,2-d]pyrimidin-4-amine?

The InChIKey is PWUHNHFIRPAPLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N6O3.C12H14ClN3O2/c1-16-28-21-6-9-33-24(21)25(29-16)30-17-2-4-19(5-3-17)34-23-13-18(31-7-10-32-11-8-31)12-22-20(23)14-26-15-27-22;13-12-15-9-5-6-18-10(9)11(16-12)14-7-1-3-8(17)4-2-7/h12-15,17,19H,2-11H2,1H3,(H,28,29,30);5-8,17H,1-4H2,(H,14,15,16).

What are the key properties of 4-[(2-chlorofuro[3,2-d]pyrimidin-4-yl)amino]cyclohexan-1-ol;2-methyl-N-[4-(7-morpholin-4-ylquinazolin-5-yl)oxycyclohexyl]-6,7-dihydrofuro[3,2-d]pyrimidin-4-amine?

4-[(2-chlorofuro[3,2-d]pyrimidin-4-yl)amino]cyclohexan-1-ol;2-methyl-N-[4-(7-morpholin-4-ylquinazolin-5-yl)oxycyclohexyl]-6,7-dihydrofuro[3,2-d]pyrimidin-4-amine has a molecular weight of 730.27 g/mol, XLogP of 5.89, 7 rotatable bonds, 3 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[(2-chlorofuro[3,2-d]pyrimidin-4-yl)amino]cyclohexan-1-ol;2-methyl-N-[4-(7-morpholin-4-ylquinazolin-5-yl)oxycyclohexyl]-6,7-dihydrofuro[3,2-d]pyrimidin-4-amine is sourced from PubChem (CID 139330580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).