2-methyl-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]furo[3,2-d]pyrimidin-4-amine

C25H28N6O3 — CID 121335912

IUPAC2-methyl-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]furo[3,2-d]pyrimidin-4-amine
SMILESCc1nc(NC2CCC(Oc3cc(N4CCOCC4)cc4nccnc34)CC2)c2occc2n1
InChIInChI=1S/C25H28N6O3/c1-16-28-20-6-11-33-24(20)25(29-16)30-17-2-4-19(5-3-17)34-22-15-18(31-9-12-32-13-10-31)14-21-23(22)27-8-7-26-21/h6-8,11,14-15,17,19H,2-5,9-10,12-13H2,1H3,(H,28,29,30)
InChIKeyMZZRRPQWCKEVOR-UHFFFAOYSA-N
MW460.54 g/mol
LogP4.11
Rot. Bonds5

About 2-methyl-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]furo[3,2-d]pyrimidin-4-amine

2-methyl-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]furo[3,2-d]pyrimidin-4-amine (PubChem CID 121335912) has the molecular formula C25H28N6O3 and a molecular weight of 460.54 g/mol. Its IUPAC name is 2-methyl-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]furo[3,2-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-methyl-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]furo[3,2-d]pyrimidin-4-amine
PubChem CID121335912
Molecular FormulaC25H28N6O3
Molecular Weight460.54 g/mol
Exact Mass460.22
IUPAC Name2-methyl-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]furo[3,2-d]pyrimidin-4-amine
SMILESCc1nc(NC2CCC(Oc3cc(N4CCOCC4)cc4nccnc34)CC2)c2occc2n1
InChIInChI=1S/C25H28N6O3/c1-16-28-20-6-11-33-24(20)25(29-16)30-17-2-4-19(5-3-17)34-22-15-18(31-9-12-32-13-10-31)14-21-23(22)27-8-7-26-21/h6-8,11,14-15,17,19H,2-5,9-10,12-13H2,1H3,(H,28,29,30)
InChIKeyMZZRRPQWCKEVOR-UHFFFAOYSA-N
XLogP4.11
TPSA98.43 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.54
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]furo[3,2-d]pyrimidin-4-amine?
The IUPAC name of 2-methyl-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]furo[3,2-d]pyrimidin-4-amine (CID 121335912) is 2-methyl-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]furo[3,2-d]pyrimidin-4-amine.
What is the SMILES notation for 2-methyl-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]furo[3,2-d]pyrimidin-4-amine?
The canonical SMILES for 2-methyl-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]furo[3,2-d]pyrimidin-4-amine is Cc1nc(NC2CCC(Oc3cc(N4CCOCC4)cc4nccnc34)CC2)c2occc2n1.
What is the InChIKey of 2-methyl-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]furo[3,2-d]pyrimidin-4-amine?
The InChIKey is MZZRRPQWCKEVOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N6O3/c1-16-28-20-6-11-33-24(20)25(29-16)30-17-2-4-19(5-3-17)34-22-15-18(31-9-12-32-13-10-31)14-21-23(22)27-8-7-26-21/h6-8,11,14-15,17,19H,2-5,9-10,12-13H2,1H3,(H,28,29,30).
What are the key properties of 2-methyl-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]furo[3,2-d]pyrimidin-4-amine?
2-methyl-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]furo[3,2-d]pyrimidin-4-amine has a molecular weight of 460.54 g/mol, XLogP of 4.11, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]furo[3,2-d]pyrimidin-4-amine is sourced from PubChem (CID 121335912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).