N-[1-(furan-2-yl)-2-methoxyethyl]thieno[2,3-d]pyrimidin-4-amine

C13H13N3O2S — CID 133336576

IUPACN-[1-(furan-2-yl)-2-methoxyethyl]thieno[2,3-d]pyrimidin-4-amine
SMILESCOCC(Nc1ncnc2sccc12)c1ccco1
InChIInChI=1S/C13H13N3O2S/c1-17-7-10(11-3-2-5-18-11)16-12-9-4-6-19-13(9)15-8-14-12/h2-6,8,10H,7H2,1H3,(H,14,15,16)
InChIKeyDHGTYCKCJVLMEB-UHFFFAOYSA-N
MW275.33 g/mol
LogP3.08
Rot. Bonds5

About N-[1-(furan-2-yl)-2-methoxyethyl]thieno[2,3-d]pyrimidin-4-amine

N-[1-(furan-2-yl)-2-methoxyethyl]thieno[2,3-d]pyrimidin-4-amine (PubChem CID 133336576) has the molecular formula C13H13N3O2S and a molecular weight of 275.33 g/mol. Its IUPAC name is N-[1-(furan-2-yl)-2-methoxyethyl]thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[1-(furan-2-yl)-2-methoxyethyl]thieno[2,3-d]pyrimidin-4-amine
PubChem CID133336576
Molecular FormulaC13H13N3O2S
Molecular Weight275.33 g/mol
Exact Mass275.07
IUPAC NameN-[1-(furan-2-yl)-2-methoxyethyl]thieno[2,3-d]pyrimidin-4-amine
SMILESCOCC(Nc1ncnc2sccc12)c1ccco1
InChIInChI=1S/C13H13N3O2S/c1-17-7-10(11-3-2-5-18-11)16-12-9-4-6-19-13(9)15-8-14-12/h2-6,8,10H,7H2,1H3,(H,14,15,16)
InChIKeyDHGTYCKCJVLMEB-UHFFFAOYSA-N
XLogP3.08
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.33
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(1S)-1-(furan-2-yl)ethyl]thieno[2,3-d]pyrimidin-4-amine
CID 9031350
N-[(S)-furan-2-yl(phenyl)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 9450827
3-methoxy-2-N-thieno[2,3-d]pyrimidin-4-ylpropane-1,2-diamine
CID 106182134
N-(4-methoxybutan-2-yl)thieno[2,3-d]pyrimidin-4-amine
CID 62735152
6-ethoxy-N-[1-(furan-2-yl)-2-methoxyethyl]pyrimidin-4-amine
CID 133485624
2-N-thieno[2,3-d]pyrimidin-4-ylpropane-1,2-diamine
CID 63732565
N-[1-(furan-2-yl)-2-methoxyethyl]-5-methyl-3-nitropyridin-2-amine
CID 133336629
N-[1-(2-methoxyphenyl)propan-2-yl]thieno[2,3-d]pyrimidin-4-amine
CID 67604920
N-[(1S)-1-[4-(difluoromethoxy)phenyl]propyl]thieno[2,3-d]pyrimidin-4-amine
CID 100938418
N-hexan-2-ylthieno[2,3-d]pyrimidin-4-amine
CID 13038322
N-[(1R)-1-phenyl-2-pyrrolidin-1-ylethyl]thieno[2,3-d]pyrimidin-4-amine
CID 36725383
(2R)-3-methyl-2-(thieno[2,3-d]pyrimidin-4-ylamino)butanoic acid
CID 93263493

Frequently Asked Questions

What is the IUPAC name of N-[1-(furan-2-yl)-2-methoxyethyl]thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-[1-(furan-2-yl)-2-methoxyethyl]thieno[2,3-d]pyrimidin-4-amine (CID 133336576) is N-[1-(furan-2-yl)-2-methoxyethyl]thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-[1-(furan-2-yl)-2-methoxyethyl]thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-[1-(furan-2-yl)-2-methoxyethyl]thieno[2,3-d]pyrimidin-4-amine is COCC(Nc1ncnc2sccc12)c1ccco1.
What is the InChIKey of N-[1-(furan-2-yl)-2-methoxyethyl]thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is DHGTYCKCJVLMEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O2S/c1-17-7-10(11-3-2-5-18-11)16-12-9-4-6-19-13(9)15-8-14-12/h2-6,8,10H,7H2,1H3,(H,14,15,16).
What are the key properties of N-[1-(furan-2-yl)-2-methoxyethyl]thieno[2,3-d]pyrimidin-4-amine?
N-[1-(furan-2-yl)-2-methoxyethyl]thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 275.33 g/mol, XLogP of 3.08, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(furan-2-yl)-2-methoxyethyl]thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 133336576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).