N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methylpyrido[2,3-d]pyrimidin-4-amine

C17H16N4O2 — CID 155975046

IUPACN-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methylpyrido[2,3-d]pyrimidin-4-amine
SMILESCN(Cc1ccc2c(c1)OCCO2)c1ncnc2ncccc12
InChIInChI=1S/C17H16N4O2/c1-21(17-13-3-2-6-18-16(13)19-11-20-17)10-12-4-5-14-15(9-12)23-8-7-22-14/h2-6,9,11H,7-8,10H2,1H3
InChIKeyWOWWOCMDHCDKFU-UHFFFAOYSA-N
MW308.34 g/mol
LogP2.43
Rot. Bonds3

About N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methylpyrido[2,3-d]pyrimidin-4-amine

N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methylpyrido[2,3-d]pyrimidin-4-amine (PubChem CID 155975046) has the molecular formula C17H16N4O2 and a molecular weight of 308.34 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methylpyrido[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methylpyrido[2,3-d]pyrimidin-4-amine
PubChem CID155975046
Molecular FormulaC17H16N4O2
Molecular Weight308.34 g/mol
Exact Mass308.13
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methylpyrido[2,3-d]pyrimidin-4-amine
SMILESCN(Cc1ccc2c(c1)OCCO2)c1ncnc2ncccc12
InChIInChI=1S/C17H16N4O2/c1-21(17-13-3-2-6-18-16(13)19-11-20-17)10-12-4-5-14-15(9-12)23-8-7-22-14/h2-6,9,11H,7-8,10H2,1H3
InChIKeyWOWWOCMDHCDKFU-UHFFFAOYSA-N
XLogP2.43
TPSA60.37 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methylpyrido[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methylpyrido[2,3-d]pyrimidin-4-amine (CID 155975046) is N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methylpyrido[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methylpyrido[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methylpyrido[2,3-d]pyrimidin-4-amine is CN(Cc1ccc2c(c1)OCCO2)c1ncnc2ncccc12.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methylpyrido[2,3-d]pyrimidin-4-amine?
The InChIKey is WOWWOCMDHCDKFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O2/c1-21(17-13-3-2-6-18-16(13)19-11-20-17)10-12-4-5-14-15(9-12)23-8-7-22-14/h2-6,9,11H,7-8,10H2,1H3.
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methylpyrido[2,3-d]pyrimidin-4-amine?
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methylpyrido[2,3-d]pyrimidin-4-amine has a molecular weight of 308.34 g/mol, XLogP of 2.43, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methylpyrido[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 155975046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).