4-(2-methylphenoxy)-6-(pyridin-4-ylmethyl)-2-pyrrolidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine

C24H27N5O — CID 46072190

IUPAC4-(2-methylphenoxy)-6-(pyridin-4-ylmethyl)-2-pyrrolidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESCc1ccccc1Oc1nc(N2CCCC2)nc2c1CN(Cc1ccncc1)CC2
InChIInChI=1S/C24H27N5O/c1-18-6-2-3-7-22(18)30-23-20-17-28(16-19-8-11-25-12-9-19)15-10-21(20)26-24(27-23)29-13-4-5-14-29/h2-3,6-9,11-12H,4-5,10,13-17H2,1H3
InChIKeyAXSPXKKSGPVNBD-UHFFFAOYSA-N
MW401.51 g/mol
LogP4.13
Rot. Bonds5

About 4-(2-methylphenoxy)-6-(pyridin-4-ylmethyl)-2-pyrrolidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine

4-(2-methylphenoxy)-6-(pyridin-4-ylmethyl)-2-pyrrolidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (PubChem CID 46072190) has the molecular formula C24H27N5O and a molecular weight of 401.51 g/mol. Its IUPAC name is 4-(2-methylphenoxy)-6-(pyridin-4-ylmethyl)-2-pyrrolidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.

Molecular Properties

Compound Name4-(2-methylphenoxy)-6-(pyridin-4-ylmethyl)-2-pyrrolidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
PubChem CID46072190
Molecular FormulaC24H27N5O
Molecular Weight401.51 g/mol
Exact Mass401.22
IUPAC Name4-(2-methylphenoxy)-6-(pyridin-4-ylmethyl)-2-pyrrolidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESCc1ccccc1Oc1nc(N2CCCC2)nc2c1CN(Cc1ccncc1)CC2
InChIInChI=1S/C24H27N5O/c1-18-6-2-3-7-22(18)30-23-20-17-28(16-19-8-11-25-12-9-19)15-10-21(20)26-24(27-23)29-13-4-5-14-29/h2-3,6-9,11-12H,4-5,10,13-17H2,1H3
InChIKeyAXSPXKKSGPVNBD-UHFFFAOYSA-N
XLogP4.13
TPSA54.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.51
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methylphenoxy)-6-(pyridin-4-ylmethyl)-2-pyrrolidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The IUPAC name of 4-(2-methylphenoxy)-6-(pyridin-4-ylmethyl)-2-pyrrolidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (CID 46072190) is 4-(2-methylphenoxy)-6-(pyridin-4-ylmethyl)-2-pyrrolidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.
What is the SMILES notation for 4-(2-methylphenoxy)-6-(pyridin-4-ylmethyl)-2-pyrrolidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The canonical SMILES for 4-(2-methylphenoxy)-6-(pyridin-4-ylmethyl)-2-pyrrolidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is Cc1ccccc1Oc1nc(N2CCCC2)nc2c1CN(Cc1ccncc1)CC2.
What is the InChIKey of 4-(2-methylphenoxy)-6-(pyridin-4-ylmethyl)-2-pyrrolidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The InChIKey is AXSPXKKSGPVNBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5O/c1-18-6-2-3-7-22(18)30-23-20-17-28(16-19-8-11-25-12-9-19)15-10-21(20)26-24(27-23)29-13-4-5-14-29/h2-3,6-9,11-12H,4-5,10,13-17H2,1H3.
What are the key properties of 4-(2-methylphenoxy)-6-(pyridin-4-ylmethyl)-2-pyrrolidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
4-(2-methylphenoxy)-6-(pyridin-4-ylmethyl)-2-pyrrolidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine has a molecular weight of 401.51 g/mol, XLogP of 4.13, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylphenoxy)-6-(pyridin-4-ylmethyl)-2-pyrrolidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is sourced from PubChem (CID 46072190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).