6-benzyl-2-methyl-N-(oxolan-2-ylmethyl)-N-(pyridin-2-ylmethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine

C26H31N5O — CID 110219427

IUPAC6-benzyl-2-methyl-N-(oxolan-2-ylmethyl)-N-(pyridin-2-ylmethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine
SMILESCc1nc2c(c(N(Cc3ccccn3)CC3CCCO3)n1)CN(Cc1ccccc1)CC2
InChIInChI=1S/C26H31N5O/c1-20-28-25-12-14-30(16-21-8-3-2-4-9-21)19-24(25)26(29-20)31(18-23-11-7-15-32-23)17-22-10-5-6-13-27-22/h2-6,8-10,13,23H,7,11-12,14-19H2,1H3
InChIKeyZYTGSWRMWDKUDF-UHFFFAOYSA-N
MW429.57 g/mol
LogP3.92
Rot. Bonds7

About 6-benzyl-2-methyl-N-(oxolan-2-ylmethyl)-N-(pyridin-2-ylmethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine

6-benzyl-2-methyl-N-(oxolan-2-ylmethyl)-N-(pyridin-2-ylmethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine (PubChem CID 110219427) has the molecular formula C26H31N5O and a molecular weight of 429.57 g/mol. Its IUPAC name is 6-benzyl-2-methyl-N-(oxolan-2-ylmethyl)-N-(pyridin-2-ylmethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name6-benzyl-2-methyl-N-(oxolan-2-ylmethyl)-N-(pyridin-2-ylmethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine
PubChem CID110219427
Molecular FormulaC26H31N5O
Molecular Weight429.57 g/mol
Exact Mass429.25
IUPAC Name6-benzyl-2-methyl-N-(oxolan-2-ylmethyl)-N-(pyridin-2-ylmethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine
SMILESCc1nc2c(c(N(Cc3ccccn3)CC3CCCO3)n1)CN(Cc1ccccc1)CC2
InChIInChI=1S/C26H31N5O/c1-20-28-25-12-14-30(16-21-8-3-2-4-9-21)19-24(25)26(29-20)31(18-23-11-7-15-32-23)17-22-10-5-6-13-27-22/h2-6,8-10,13,23H,7,11-12,14-19H2,1H3
InChIKeyZYTGSWRMWDKUDF-UHFFFAOYSA-N
XLogP3.92
TPSA54.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.57
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-benzyl-2-methyl-N-(oxolan-2-ylmethyl)-N-(pyridin-2-ylmethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine?
The IUPAC name of 6-benzyl-2-methyl-N-(oxolan-2-ylmethyl)-N-(pyridin-2-ylmethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine (CID 110219427) is 6-benzyl-2-methyl-N-(oxolan-2-ylmethyl)-N-(pyridin-2-ylmethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine.
What is the SMILES notation for 6-benzyl-2-methyl-N-(oxolan-2-ylmethyl)-N-(pyridin-2-ylmethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine?
The canonical SMILES for 6-benzyl-2-methyl-N-(oxolan-2-ylmethyl)-N-(pyridin-2-ylmethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine is Cc1nc2c(c(N(Cc3ccccn3)CC3CCCO3)n1)CN(Cc1ccccc1)CC2.
What is the InChIKey of 6-benzyl-2-methyl-N-(oxolan-2-ylmethyl)-N-(pyridin-2-ylmethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine?
The InChIKey is ZYTGSWRMWDKUDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N5O/c1-20-28-25-12-14-30(16-21-8-3-2-4-9-21)19-24(25)26(29-20)31(18-23-11-7-15-32-23)17-22-10-5-6-13-27-22/h2-6,8-10,13,23H,7,11-12,14-19H2,1H3.
What are the key properties of 6-benzyl-2-methyl-N-(oxolan-2-ylmethyl)-N-(pyridin-2-ylmethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine?
6-benzyl-2-methyl-N-(oxolan-2-ylmethyl)-N-(pyridin-2-ylmethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine has a molecular weight of 429.57 g/mol, XLogP of 3.92, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-benzyl-2-methyl-N-(oxolan-2-ylmethyl)-N-(pyridin-2-ylmethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine is sourced from PubChem (CID 110219427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).