7-[(6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-N-methyl-2-pyrrolidin-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine

C22H29N5O3 — CID 110265998

IUPAC7-[(6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-N-methyl-2-pyrrolidin-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine
SMILESCNc1nc(C2CCCN2)nc2c1CCN(Cc1cc3c(cc1OC)OCCO3)C2
InChIInChI=1S/C22H29N5O3/c1-23-21-15-5-7-27(13-17(15)25-22(26-21)16-4-3-6-24-16)12-14-10-19-20(11-18(14)28-2)30-9-8-29-19/h10-11,16,24H,3-9,12-13H2,1-2H3,(H,23,25,26)
InChIKeyLWLDSSKXRFRFEB-UHFFFAOYSA-N
MW411.51 g/mol
LogP2.28
Rot. Bonds5

About 7-[(6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-N-methyl-2-pyrrolidin-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine

7-[(6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-N-methyl-2-pyrrolidin-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine (PubChem CID 110265998) has the molecular formula C22H29N5O3 and a molecular weight of 411.51 g/mol. Its IUPAC name is 7-[(6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-N-methyl-2-pyrrolidin-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name7-[(6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-N-methyl-2-pyrrolidin-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine
PubChem CID110265998
Molecular FormulaC22H29N5O3
Molecular Weight411.51 g/mol
Exact Mass411.23
IUPAC Name7-[(6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-N-methyl-2-pyrrolidin-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine
SMILESCNc1nc(C2CCCN2)nc2c1CCN(Cc1cc3c(cc1OC)OCCO3)C2
InChIInChI=1S/C22H29N5O3/c1-23-21-15-5-7-27(13-17(15)25-22(26-21)16-4-3-6-24-16)12-14-10-19-20(11-18(14)28-2)30-9-8-29-19/h10-11,16,24H,3-9,12-13H2,1-2H3,(H,23,25,26)
InChIKeyLWLDSSKXRFRFEB-UHFFFAOYSA-N
XLogP2.28
TPSA80.77 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.51
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 7-[(6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-N-methyl-2-pyrrolidin-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7-[(6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-N-methyl-2-pyrrolidin-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine?
The IUPAC name of 7-[(6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-N-methyl-2-pyrrolidin-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine (CID 110265998) is 7-[(6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-N-methyl-2-pyrrolidin-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 7-[(6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-N-methyl-2-pyrrolidin-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 7-[(6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-N-methyl-2-pyrrolidin-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine is CNc1nc(C2CCCN2)nc2c1CCN(Cc1cc3c(cc1OC)OCCO3)C2.
What is the InChIKey of 7-[(6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-N-methyl-2-pyrrolidin-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine?
The InChIKey is LWLDSSKXRFRFEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N5O3/c1-23-21-15-5-7-27(13-17(15)25-22(26-21)16-4-3-6-24-16)12-14-10-19-20(11-18(14)28-2)30-9-8-29-19/h10-11,16,24H,3-9,12-13H2,1-2H3,(H,23,25,26).
What are the key properties of 7-[(6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-N-methyl-2-pyrrolidin-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine?
7-[(6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-N-methyl-2-pyrrolidin-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine has a molecular weight of 411.51 g/mol, XLogP of 2.28, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-N-methyl-2-pyrrolidin-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 110265998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).