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

C16H19BrN4OS — CID 20960634

IUPAC4-[6-[(4-bromothiophen-2-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]morpholine
SMILESBrc1csc(CN2CCc3nc(N4CCOCC4)ncc3C2)c1
InChIInChI=1S/C16H19BrN4OS/c17-13-7-14(23-11-13)10-20-2-1-15-12(9-20)8-18-16(19-15)21-3-5-22-6-4-21/h7-8,11H,1-6,9-10H2
InChIKeyFUXMLDZJXMBOII-UHFFFAOYSA-N
MW395.33 g/mol
LogP2.70
Rot. Bonds3

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

4-[6-[(4-bromothiophen-2-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]morpholine (PubChem CID 20960634) has the molecular formula C16H19BrN4OS and a molecular weight of 395.33 g/mol. Its IUPAC name is 4-[6-[(4-bromothiophen-2-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]morpholine.

Molecular Properties

Compound Name4-[6-[(4-bromothiophen-2-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]morpholine
PubChem CID20960634
Molecular FormulaC16H19BrN4OS
Molecular Weight395.33 g/mol
Exact Mass394.05
IUPAC Name4-[6-[(4-bromothiophen-2-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]morpholine
SMILESBrc1csc(CN2CCc3nc(N4CCOCC4)ncc3C2)c1
InChIInChI=1S/C16H19BrN4OS/c17-13-7-14(23-11-13)10-20-2-1-15-12(9-20)8-18-16(19-15)21-3-5-22-6-4-21/h7-8,11H,1-6,9-10H2
InChIKeyFUXMLDZJXMBOII-UHFFFAOYSA-N
XLogP2.70
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.33
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[6-[(4-bromothiophen-2-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]morpholine?
The IUPAC name of 4-[6-[(4-bromothiophen-2-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]morpholine (CID 20960634) is 4-[6-[(4-bromothiophen-2-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]morpholine.
What is the SMILES notation for 4-[6-[(4-bromothiophen-2-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]morpholine?
The canonical SMILES for 4-[6-[(4-bromothiophen-2-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]morpholine is Brc1csc(CN2CCc3nc(N4CCOCC4)ncc3C2)c1.
What is the InChIKey of 4-[6-[(4-bromothiophen-2-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]morpholine?
The InChIKey is FUXMLDZJXMBOII-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrN4OS/c17-13-7-14(23-11-13)10-20-2-1-15-12(9-20)8-18-16(19-15)21-3-5-22-6-4-21/h7-8,11H,1-6,9-10H2.
What are the key properties of 4-[6-[(4-bromothiophen-2-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]morpholine?
4-[6-[(4-bromothiophen-2-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]morpholine has a molecular weight of 395.33 g/mol, XLogP of 2.70, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-[(4-bromothiophen-2-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]morpholine is sourced from PubChem (CID 20960634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).