N-(furan-2-ylmethyl)-N,5,6-trimethylthieno[2,3-d]pyrimidin-4-amine

C14H15N3OS — CID 4882721

IUPACN-(furan-2-ylmethyl)-N,5,6-trimethylthieno[2,3-d]pyrimidin-4-amine
SMILESCc1sc2ncnc(N(C)Cc3ccco3)c2c1C
InChIInChI=1S/C14H15N3OS/c1-9-10(2)19-14-12(9)13(15-8-16-14)17(3)7-11-5-4-6-18-11/h4-6,8H,7H2,1-3H3
InChIKeyAPPBTSOQHQFHRD-UHFFFAOYSA-N
MW273.36 g/mol
LogP3.54
Rot. Bonds3

About N-(furan-2-ylmethyl)-N,5,6-trimethylthieno[2,3-d]pyrimidin-4-amine

N-(furan-2-ylmethyl)-N,5,6-trimethylthieno[2,3-d]pyrimidin-4-amine (PubChem CID 4882721) has the molecular formula C14H15N3OS and a molecular weight of 273.36 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-N,5,6-trimethylthieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-N,5,6-trimethylthieno[2,3-d]pyrimidin-4-amine
PubChem CID4882721
Molecular FormulaC14H15N3OS
Molecular Weight273.36 g/mol
Exact Mass273.09
IUPAC NameN-(furan-2-ylmethyl)-N,5,6-trimethylthieno[2,3-d]pyrimidin-4-amine
SMILESCc1sc2ncnc(N(C)Cc3ccco3)c2c1C
InChIInChI=1S/C14H15N3OS/c1-9-10(2)19-14-12(9)13(15-8-16-14)17(3)7-11-5-4-6-18-11/h4-6,8H,7H2,1-3H3
InChIKeyAPPBTSOQHQFHRD-UHFFFAOYSA-N
XLogP3.54
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.36
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-Furanyl-[4-(2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)-1-piperazinyl]methanone
CID 1434953
F1174-1718
CID 704116
2-(5,6-Dimethyl-thieno[2,3-d]pyrimidin-4-ylsulfanyl)-1-[4-(furan-2-carbonyl)-piperazin-1-yl]-ethanone
CID 650703
4-((Furan-2-ylmethyl)thio)-5,6-dimethylthieno[2,3-d]pyrimidine
CID 717861
N-(6,7,8,9-tetrahydro-5H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-yl)furan-2-carboxamide
CID 651628
6-Benzyl-2-(5-methyl-furan-2-yl)-thieno[2,3-d]pyrimidin-4-ylamine
CID 45275517
6-Benzyl-2-(5-ethyl-furan-2-yl)-thieno[2,3-d]pyrimidin-4-ylamine
CID 45275619
(+/-)-2-(5-Methyl-furan-2-yl)-6-(1-phenyl-ethyl)-thieno[2,3-d]pyrimidin-4-ylamine
CID 45275719
2-(5-Methylfuran-2-yl)-6-(2-phenylethyl)thieno[2,3-d]pyrimidin-4-amine
CID 45275823
6-[(3,3-Difluoropiperidin-1-yl)methyl]-2-(furan-2-yl)thieno[2,3-d]pyrimidin-4-amine
CID 45278533
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

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-N,5,6-trimethylthieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-(furan-2-ylmethyl)-N,5,6-trimethylthieno[2,3-d]pyrimidin-4-amine (CID 4882721) is N-(furan-2-ylmethyl)-N,5,6-trimethylthieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-(furan-2-ylmethyl)-N,5,6-trimethylthieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-(furan-2-ylmethyl)-N,5,6-trimethylthieno[2,3-d]pyrimidin-4-amine is Cc1sc2ncnc(N(C)Cc3ccco3)c2c1C.
What is the InChIKey of N-(furan-2-ylmethyl)-N,5,6-trimethylthieno[2,3-d]pyrimidin-4-amine?
The InChIKey is APPBTSOQHQFHRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3OS/c1-9-10(2)19-14-12(9)13(15-8-16-14)17(3)7-11-5-4-6-18-11/h4-6,8H,7H2,1-3H3.
What are the key properties of N-(furan-2-ylmethyl)-N,5,6-trimethylthieno[2,3-d]pyrimidin-4-amine?
N-(furan-2-ylmethyl)-N,5,6-trimethylthieno[2,3-d]pyrimidin-4-amine has a molecular weight of 273.36 g/mol, XLogP of 3.54, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-N,5,6-trimethylthieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 4882721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).