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

C17H22N4OS — CID 46346033

IUPAC4-[6-[(3-methylthiophen-2-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]morpholine
SMILESCc1ccsc1CN1CCc2nc(N3CCOCC3)ncc2C1
InChIInChI=1S/C17H22N4OS/c1-13-3-9-23-16(13)12-20-4-2-15-14(11-20)10-18-17(19-15)21-5-7-22-8-6-21/h3,9-10H,2,4-8,11-12H2,1H3
InChIKeyINCHPVYPZVIDNX-UHFFFAOYSA-N
MW330.46 g/mol
LogP2.24
Rot. Bonds3

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

4-[6-[(3-methylthiophen-2-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]morpholine (PubChem CID 46346033) has the molecular formula C17H22N4OS and a molecular weight of 330.46 g/mol. Its IUPAC name is 4-[6-[(3-methylthiophen-2-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]morpholine.

Molecular Properties

Compound Name4-[6-[(3-methylthiophen-2-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]morpholine
PubChem CID46346033
Molecular FormulaC17H22N4OS
Molecular Weight330.46 g/mol
Exact Mass330.15
IUPAC Name4-[6-[(3-methylthiophen-2-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]morpholine
SMILESCc1ccsc1CN1CCc2nc(N3CCOCC3)ncc2C1
InChIInChI=1S/C17H22N4OS/c1-13-3-9-23-16(13)12-20-4-2-15-14(11-20)10-18-17(19-15)21-5-7-22-8-6-21/h3,9-10H,2,4-8,11-12H2,1H3
InChIKeyINCHPVYPZVIDNX-UHFFFAOYSA-N
XLogP2.24
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.46
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-[6-[(3-methylthiophen-2-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]morpholine with MolForge

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Related Compounds

CID 10753846
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CID 16028159
CID 16028159
CID 44381653
CID 44381653
CID 44423531
CID 44423531
CID 44423532
CID 44423532
CID 44522308
CID 44522308
CID 127041886
CID 127041886
CID 16028187
CID 16028187
CID 53467768
CID 53467768
CID 53467770
CID 53467770
CID 53467982
CID 53467982

Frequently Asked Questions

What is the IUPAC name of 4-[6-[(3-methylthiophen-2-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]morpholine?
The IUPAC name of 4-[6-[(3-methylthiophen-2-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]morpholine (CID 46346033) is 4-[6-[(3-methylthiophen-2-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]morpholine.
What is the SMILES notation for 4-[6-[(3-methylthiophen-2-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]morpholine?
The canonical SMILES for 4-[6-[(3-methylthiophen-2-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]morpholine is Cc1ccsc1CN1CCc2nc(N3CCOCC3)ncc2C1.
What is the InChIKey of 4-[6-[(3-methylthiophen-2-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]morpholine?
The InChIKey is INCHPVYPZVIDNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4OS/c1-13-3-9-23-16(13)12-20-4-2-15-14(11-20)10-18-17(19-15)21-5-7-22-8-6-21/h3,9-10H,2,4-8,11-12H2,1H3.
What are the key properties of 4-[6-[(3-methylthiophen-2-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]morpholine?
4-[6-[(3-methylthiophen-2-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]morpholine has a molecular weight of 330.46 g/mol, XLogP of 2.24, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-[(3-methylthiophen-2-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]morpholine is sourced from PubChem (CID 46346033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).