4-(10-methoxy-2,3,4,6-tetrahydro-1,5-benzoxazocin-5-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-amine

C18H23N5O2 — CID 56873372

IUPAC4-(10-methoxy-2,3,4,6-tetrahydro-1,5-benzoxazocin-5-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-amine
SMILESCOc1cccc2c1OCCCN(c1nc(N)nc3c1CCNC3)C2
InChIInChI=1S/C18H23N5O2/c1-24-15-5-2-4-12-11-23(8-3-9-25-16(12)15)17-13-6-7-20-10-14(13)21-18(19)22-17/h2,4-5,20H,3,6-11H2,1H3,(H2,19,21,22)
InChIKeyPRWWDUMKQZSETA-UHFFFAOYSA-N
MW341.42 g/mol
LogP1.50
Rot. Bonds2

About 4-(10-methoxy-2,3,4,6-tetrahydro-1,5-benzoxazocin-5-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-amine

4-(10-methoxy-2,3,4,6-tetrahydro-1,5-benzoxazocin-5-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-amine (PubChem CID 56873372) has the molecular formula C18H23N5O2 and a molecular weight of 341.42 g/mol. Its IUPAC name is 4-(10-methoxy-2,3,4,6-tetrahydro-1,5-benzoxazocin-5-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-amine.

Molecular Properties

Compound Name4-(10-methoxy-2,3,4,6-tetrahydro-1,5-benzoxazocin-5-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-amine
PubChem CID56873372
Molecular FormulaC18H23N5O2
Molecular Weight341.42 g/mol
Exact Mass341.19
IUPAC Name4-(10-methoxy-2,3,4,6-tetrahydro-1,5-benzoxazocin-5-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-amine
SMILESCOc1cccc2c1OCCCN(c1nc(N)nc3c1CCNC3)C2
InChIInChI=1S/C18H23N5O2/c1-24-15-5-2-4-12-11-23(8-3-9-25-16(12)15)17-13-6-7-20-10-14(13)21-18(19)22-17/h2,4-5,20H,3,6-11H2,1H3,(H2,19,21,22)
InChIKeyPRWWDUMKQZSETA-UHFFFAOYSA-N
XLogP1.50
TPSA85.53 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.42
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-(10-methoxy-2,3,4,6-tetrahydro-1,5-benzoxazocin-5-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-amine?
The IUPAC name of 4-(10-methoxy-2,3,4,6-tetrahydro-1,5-benzoxazocin-5-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-amine (CID 56873372) is 4-(10-methoxy-2,3,4,6-tetrahydro-1,5-benzoxazocin-5-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-amine.
What is the SMILES notation for 4-(10-methoxy-2,3,4,6-tetrahydro-1,5-benzoxazocin-5-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-amine?
The canonical SMILES for 4-(10-methoxy-2,3,4,6-tetrahydro-1,5-benzoxazocin-5-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-amine is COc1cccc2c1OCCCN(c1nc(N)nc3c1CCNC3)C2.
What is the InChIKey of 4-(10-methoxy-2,3,4,6-tetrahydro-1,5-benzoxazocin-5-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-amine?
The InChIKey is PRWWDUMKQZSETA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O2/c1-24-15-5-2-4-12-11-23(8-3-9-25-16(12)15)17-13-6-7-20-10-14(13)21-18(19)22-17/h2,4-5,20H,3,6-11H2,1H3,(H2,19,21,22).
What are the key properties of 4-(10-methoxy-2,3,4,6-tetrahydro-1,5-benzoxazocin-5-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-amine?
4-(10-methoxy-2,3,4,6-tetrahydro-1,5-benzoxazocin-5-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-amine has a molecular weight of 341.42 g/mol, XLogP of 1.50, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(10-methoxy-2,3,4,6-tetrahydro-1,5-benzoxazocin-5-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-amine is sourced from PubChem (CID 56873372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).