N-[2-(furan-2-yl)ethyl]-6-methyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-amine

C18H16N4OS — CID 91965673

IUPACN-[2-(furan-2-yl)ethyl]-6-methyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-amine
SMILESCc1cc2c(NCCc3ccco3)nc(-c3cccnc3)nc2s1
InChIInChI=1S/C18H16N4OS/c1-12-10-15-17(20-8-6-14-5-3-9-23-14)21-16(22-18(15)24-12)13-4-2-7-19-11-13/h2-5,7,9-11H,6,8H2,1H3,(H,20,21,22)
InChIKeyGDGIYWQPCULIGA-UHFFFAOYSA-N
MW336.42 g/mol
LogP4.31
Rot. Bonds5

About N-[2-(furan-2-yl)ethyl]-6-methyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-amine

N-[2-(furan-2-yl)ethyl]-6-methyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-amine (PubChem CID 91965673) has the molecular formula C18H16N4OS and a molecular weight of 336.42 g/mol. Its IUPAC name is N-[2-(furan-2-yl)ethyl]-6-methyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[2-(furan-2-yl)ethyl]-6-methyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-amine
PubChem CID91965673
Molecular FormulaC18H16N4OS
Molecular Weight336.42 g/mol
Exact Mass336.10
IUPAC NameN-[2-(furan-2-yl)ethyl]-6-methyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-amine
SMILESCc1cc2c(NCCc3ccco3)nc(-c3cccnc3)nc2s1
InChIInChI=1S/C18H16N4OS/c1-12-10-15-17(20-8-6-14-5-3-9-23-14)21-16(22-18(15)24-12)13-4-2-7-19-11-13/h2-5,7,9-11H,6,8H2,1H3,(H,20,21,22)
InChIKeyGDGIYWQPCULIGA-UHFFFAOYSA-N
XLogP4.31
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.42
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(furan-2-yl)-5-N-(2-pyridin-3-ylethyl)-[1,3]thiazolo[5,4-d]pyrimidine-5,7-diamine
CID 145436763
2-(Furan-2-yl)-6-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 45279725
6-[[(2R,6S)-2,6-dimethylpiperidin-1-yl]methyl]-2-(furan-2-yl)thieno[2,3-d]pyrimidin-4-amine
CID 45279727
1-(furan-2-yl)-N,N-dimethyl-N'-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)ethane-1,2-diamine
CID 4781042
N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 4880718
2-(Furan-2-yl)-10-thia-5,7,12-triazatetracyclo[11.7.0.03,11.04,9]icosa-1(13),2,4(9),5,7,11-hexaen-8-amine
CID 46884360
6-(3,6-dihydro-2H-pyridin-1-ylmethyl)-2-(furan-2-yl)thieno[2,3-d]pyrimidin-4-amine
CID 45136852
2-(5-Ethyl-furan-2-yl)-6-morpholin-4-ylmethyl-thieno[2,3-d]pyrimidin-4-ylamine
CID 45279275
6-Cyclohexylaminomethyl-2-furan-2-yl-thieno[2,3-d]pyrimidin-4-ylamine
CID 45279545
2-(5-Methyl-furan-2-yl)-6-piperidin-1-ylmethyl-thieno[2,3-d]pyrimidin-4-ylamine
CID 45279632
2-(5-Methylfuran-2-yl)-6-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 45279636
1-[[4-Amino-2-(furan-2-yl)thieno[2,3-d]pyrimidin-6-yl]methyl]piperidin-4-one
CID 45279728

Frequently Asked Questions

What is the IUPAC name of N-[2-(furan-2-yl)ethyl]-6-methyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-[2-(furan-2-yl)ethyl]-6-methyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-amine (CID 91965673) is N-[2-(furan-2-yl)ethyl]-6-methyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-[2-(furan-2-yl)ethyl]-6-methyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-[2-(furan-2-yl)ethyl]-6-methyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-amine is Cc1cc2c(NCCc3ccco3)nc(-c3cccnc3)nc2s1.
What is the InChIKey of N-[2-(furan-2-yl)ethyl]-6-methyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-amine?
The InChIKey is GDGIYWQPCULIGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4OS/c1-12-10-15-17(20-8-6-14-5-3-9-23-14)21-16(22-18(15)24-12)13-4-2-7-19-11-13/h2-5,7,9-11H,6,8H2,1H3,(H,20,21,22).
What are the key properties of N-[2-(furan-2-yl)ethyl]-6-methyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-amine?
N-[2-(furan-2-yl)ethyl]-6-methyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-amine has a molecular weight of 336.42 g/mol, XLogP of 4.31, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(furan-2-yl)ethyl]-6-methyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 91965673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).