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

C22H21ClN4O2 — CID 20960590

IUPAC6-[(2-chlorophenyl)methyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine
SMILESClc1ccccc1CN1CCc2nc(Nc3ccc4c(c3)OCCO4)ncc2C1
InChIInChI=1S/C22H21ClN4O2/c23-18-4-2-1-3-15(18)13-27-8-7-19-16(14-27)12-24-22(26-19)25-17-5-6-20-21(11-17)29-10-9-28-20/h1-6,11-12H,7-10,13-14H2,(H,24,25,26)
InChIKeyXOYHXLYOBQQAJR-UHFFFAOYSA-N
MW408.89 g/mol
LogP4.20
Rot. Bonds4

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

6-[(2-chlorophenyl)methyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine (PubChem CID 20960590) has the molecular formula C22H21ClN4O2 and a molecular weight of 408.89 g/mol. Its IUPAC name is 6-[(2-chlorophenyl)methyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine.

Molecular Properties

Compound Name6-[(2-chlorophenyl)methyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine
PubChem CID20960590
Molecular FormulaC22H21ClN4O2
Molecular Weight408.89 g/mol
Exact Mass408.14
IUPAC Name6-[(2-chlorophenyl)methyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine
SMILESClc1ccccc1CN1CCc2nc(Nc3ccc4c(c3)OCCO4)ncc2C1
InChIInChI=1S/C22H21ClN4O2/c23-18-4-2-1-3-15(18)13-27-8-7-19-16(14-27)12-24-22(26-19)25-17-5-6-20-21(11-17)29-10-9-28-20/h1-6,11-12H,7-10,13-14H2,(H,24,25,26)
InChIKeyXOYHXLYOBQQAJR-UHFFFAOYSA-N
XLogP4.20
TPSA59.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.89
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[(2-chlorophenyl)methyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine?
The IUPAC name of 6-[(2-chlorophenyl)methyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine (CID 20960590) is 6-[(2-chlorophenyl)methyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine.
What is the SMILES notation for 6-[(2-chlorophenyl)methyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine?
The canonical SMILES for 6-[(2-chlorophenyl)methyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine is Clc1ccccc1CN1CCc2nc(Nc3ccc4c(c3)OCCO4)ncc2C1.
What is the InChIKey of 6-[(2-chlorophenyl)methyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine?
The InChIKey is XOYHXLYOBQQAJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21ClN4O2/c23-18-4-2-1-3-15(18)13-27-8-7-19-16(14-27)12-24-22(26-19)25-17-5-6-20-21(11-17)29-10-9-28-20/h1-6,11-12H,7-10,13-14H2,(H,24,25,26).
What are the key properties of 6-[(2-chlorophenyl)methyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine?
6-[(2-chlorophenyl)methyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine has a molecular weight of 408.89 g/mol, XLogP of 4.20, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-chlorophenyl)methyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine is sourced from PubChem (CID 20960590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).