2-cyclopentyl-1-[3-[6-methyl-4-(methylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]pyrrolidin-1-yl]ethanone

C20H31N5O — CID 118740146

IUPAC2-cyclopentyl-1-[3-[6-methyl-4-(methylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]pyrrolidin-1-yl]ethanone
SMILESCNc1nc(C2CCN(C(=O)CC3CCCC3)C2)nc2c1CN(C)CC2
InChIInChI=1S/C20H31N5O/c1-21-20-16-13-24(2)9-8-17(16)22-19(23-20)15-7-10-25(12-15)18(26)11-14-5-3-4-6-14/h14-15H,3-13H2,1-2H3,(H,21,22,23)
InChIKeyMUGSADDFWDOGRP-UHFFFAOYSA-N
MW357.50 g/mol
LogP2.40
Rot. Bonds4

About 2-cyclopentyl-1-[3-[6-methyl-4-(methylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]pyrrolidin-1-yl]ethanone

2-cyclopentyl-1-[3-[6-methyl-4-(methylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]pyrrolidin-1-yl]ethanone (PubChem CID 118740146) has the molecular formula C20H31N5O and a molecular weight of 357.50 g/mol. Its IUPAC name is 2-cyclopentyl-1-[3-[6-methyl-4-(methylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name2-cyclopentyl-1-[3-[6-methyl-4-(methylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]pyrrolidin-1-yl]ethanone
PubChem CID118740146
Molecular FormulaC20H31N5O
Molecular Weight357.50 g/mol
Exact Mass357.25
IUPAC Name2-cyclopentyl-1-[3-[6-methyl-4-(methylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]pyrrolidin-1-yl]ethanone
SMILESCNc1nc(C2CCN(C(=O)CC3CCCC3)C2)nc2c1CN(C)CC2
InChIInChI=1S/C20H31N5O/c1-21-20-16-13-24(2)9-8-17(16)22-19(23-20)15-7-10-25(12-15)18(26)11-14-5-3-4-6-14/h14-15H,3-13H2,1-2H3,(H,21,22,23)
InChIKeyMUGSADDFWDOGRP-UHFFFAOYSA-N
XLogP2.40
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.50
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-1-[3-[6-methyl-4-(methylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]pyrrolidin-1-yl]ethanone?
The IUPAC name of 2-cyclopentyl-1-[3-[6-methyl-4-(methylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]pyrrolidin-1-yl]ethanone (CID 118740146) is 2-cyclopentyl-1-[3-[6-methyl-4-(methylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 2-cyclopentyl-1-[3-[6-methyl-4-(methylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]pyrrolidin-1-yl]ethanone?
The canonical SMILES for 2-cyclopentyl-1-[3-[6-methyl-4-(methylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]pyrrolidin-1-yl]ethanone is CNc1nc(C2CCN(C(=O)CC3CCCC3)C2)nc2c1CN(C)CC2.
What is the InChIKey of 2-cyclopentyl-1-[3-[6-methyl-4-(methylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]pyrrolidin-1-yl]ethanone?
The InChIKey is MUGSADDFWDOGRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N5O/c1-21-20-16-13-24(2)9-8-17(16)22-19(23-20)15-7-10-25(12-15)18(26)11-14-5-3-4-6-14/h14-15H,3-13H2,1-2H3,(H,21,22,23).
What are the key properties of 2-cyclopentyl-1-[3-[6-methyl-4-(methylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]pyrrolidin-1-yl]ethanone?
2-cyclopentyl-1-[3-[6-methyl-4-(methylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]pyrrolidin-1-yl]ethanone has a molecular weight of 357.50 g/mol, XLogP of 2.40, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-1-[3-[6-methyl-4-(methylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 118740146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).