2-(4-methylpiperidin-1-yl)-6-[(3-methylthiophen-2-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine

C19H26N4S — CID 46346079

IUPAC2-(4-methylpiperidin-1-yl)-6-[(3-methylthiophen-2-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESCc1ccsc1CN1CCc2nc(N3CCC(C)CC3)ncc2C1
InChIInChI=1S/C19H26N4S/c1-14-3-8-23(9-4-14)19-20-11-16-12-22(7-5-17(16)21-19)13-18-15(2)6-10-24-18/h6,10-11,14H,3-5,7-9,12-13H2,1-2H3
InChIKeyQGJXDMJYQQUTMR-UHFFFAOYSA-N
MW342.51 g/mol
LogP3.64
Rot. Bonds3

About 2-(4-methylpiperidin-1-yl)-6-[(3-methylthiophen-2-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine

2-(4-methylpiperidin-1-yl)-6-[(3-methylthiophen-2-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (PubChem CID 46346079) has the molecular formula C19H26N4S and a molecular weight of 342.51 g/mol. Its IUPAC name is 2-(4-methylpiperidin-1-yl)-6-[(3-methylthiophen-2-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.

Molecular Properties

Compound Name2-(4-methylpiperidin-1-yl)-6-[(3-methylthiophen-2-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
PubChem CID46346079
Molecular FormulaC19H26N4S
Molecular Weight342.51 g/mol
Exact Mass342.19
IUPAC Name2-(4-methylpiperidin-1-yl)-6-[(3-methylthiophen-2-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESCc1ccsc1CN1CCc2nc(N3CCC(C)CC3)ncc2C1
InChIInChI=1S/C19H26N4S/c1-14-3-8-23(9-4-14)19-20-11-16-12-22(7-5-17(16)21-19)13-18-15(2)6-10-24-18/h6,10-11,14H,3-5,7-9,12-13H2,1-2H3
InChIKeyQGJXDMJYQQUTMR-UHFFFAOYSA-N
XLogP3.64
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.51
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methylpiperidin-1-yl)-6-[(3-methylthiophen-2-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The IUPAC name of 2-(4-methylpiperidin-1-yl)-6-[(3-methylthiophen-2-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (CID 46346079) is 2-(4-methylpiperidin-1-yl)-6-[(3-methylthiophen-2-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.
What is the SMILES notation for 2-(4-methylpiperidin-1-yl)-6-[(3-methylthiophen-2-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The canonical SMILES for 2-(4-methylpiperidin-1-yl)-6-[(3-methylthiophen-2-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is Cc1ccsc1CN1CCc2nc(N3CCC(C)CC3)ncc2C1.
What is the InChIKey of 2-(4-methylpiperidin-1-yl)-6-[(3-methylthiophen-2-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The InChIKey is QGJXDMJYQQUTMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4S/c1-14-3-8-23(9-4-14)19-20-11-16-12-22(7-5-17(16)21-19)13-18-15(2)6-10-24-18/h6,10-11,14H,3-5,7-9,12-13H2,1-2H3.
What are the key properties of 2-(4-methylpiperidin-1-yl)-6-[(3-methylthiophen-2-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
2-(4-methylpiperidin-1-yl)-6-[(3-methylthiophen-2-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine has a molecular weight of 342.51 g/mol, XLogP of 3.64, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylpiperidin-1-yl)-6-[(3-methylthiophen-2-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is sourced from PubChem (CID 46346079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).