N,N-diethyl-5-[(2-thiophen-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]furan-2-amine

C20H24N4OS — CID 24912370

IUPACN,N-diethyl-5-[(2-thiophen-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]furan-2-amine
SMILESCCN(CC)c1ccc(CN2CCc3nc(-c4cccs4)ncc3C2)o1
InChIInChI=1S/C20H24N4OS/c1-3-24(4-2)19-8-7-16(25-19)14-23-10-9-17-15(13-23)12-21-20(22-17)18-6-5-11-26-18/h5-8,11-12H,3-4,9-10,13-14H2,1-2H3
InChIKeyYPBMUOIYDJZAKM-UHFFFAOYSA-N
MW368.51 g/mol
LogP4.20
Rot. Bonds6

About N,N-diethyl-5-[(2-thiophen-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]furan-2-amine

N,N-diethyl-5-[(2-thiophen-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]furan-2-amine (PubChem CID 24912370) has the molecular formula C20H24N4OS and a molecular weight of 368.51 g/mol. Its IUPAC name is N,N-diethyl-5-[(2-thiophen-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]furan-2-amine.

Molecular Properties

Compound NameN,N-diethyl-5-[(2-thiophen-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]furan-2-amine
PubChem CID24912370
Molecular FormulaC20H24N4OS
Molecular Weight368.51 g/mol
Exact Mass368.17
IUPAC NameN,N-diethyl-5-[(2-thiophen-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]furan-2-amine
SMILESCCN(CC)c1ccc(CN2CCc3nc(-c4cccs4)ncc3C2)o1
InChIInChI=1S/C20H24N4OS/c1-3-24(4-2)19-8-7-16(25-19)14-23-10-9-17-15(13-23)12-21-20(22-17)18-6-5-11-26-18/h5-8,11-12H,3-4,9-10,13-14H2,1-2H3
InChIKeyYPBMUOIYDJZAKM-UHFFFAOYSA-N
XLogP4.20
TPSA45.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.51
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-5-[(2-thiophen-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]furan-2-amine?
The IUPAC name of N,N-diethyl-5-[(2-thiophen-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]furan-2-amine (CID 24912370) is N,N-diethyl-5-[(2-thiophen-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]furan-2-amine.
What is the SMILES notation for N,N-diethyl-5-[(2-thiophen-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]furan-2-amine?
The canonical SMILES for N,N-diethyl-5-[(2-thiophen-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]furan-2-amine is CCN(CC)c1ccc(CN2CCc3nc(-c4cccs4)ncc3C2)o1.
What is the InChIKey of N,N-diethyl-5-[(2-thiophen-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]furan-2-amine?
The InChIKey is YPBMUOIYDJZAKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4OS/c1-3-24(4-2)19-8-7-16(25-19)14-23-10-9-17-15(13-23)12-21-20(22-17)18-6-5-11-26-18/h5-8,11-12H,3-4,9-10,13-14H2,1-2H3.
What are the key properties of N,N-diethyl-5-[(2-thiophen-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]furan-2-amine?
N,N-diethyl-5-[(2-thiophen-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]furan-2-amine has a molecular weight of 368.51 g/mol, XLogP of 4.20, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-5-[(2-thiophen-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]furan-2-amine is sourced from PubChem (CID 24912370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).