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

C12H11N3OS — CID 9031350

IUPACN-[(1S)-1-(furan-2-yl)ethyl]thieno[2,3-d]pyrimidin-4-amine
SMILESC[C@H](Nc1ncnc2sccc12)c1ccco1
InChIInChI=1S/C12H11N3OS/c1-8(10-3-2-5-16-10)15-11-9-4-6-17-12(9)14-7-13-11/h2-8H,1H3,(H,13,14,15)/t8-/m0/s1
InChIKeyFDNZJLPYTLXYHJ-QMMMGPOBSA-N
MW245.31 g/mol
LogP3.46
Rot. Bonds3

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

N-[(1S)-1-(furan-2-yl)ethyl]thieno[2,3-d]pyrimidin-4-amine (PubChem CID 9031350) has the molecular formula C12H11N3OS and a molecular weight of 245.31 g/mol. Its IUPAC name is N-[(1S)-1-(furan-2-yl)ethyl]thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[(1S)-1-(furan-2-yl)ethyl]thieno[2,3-d]pyrimidin-4-amine
PubChem CID9031350
Molecular FormulaC12H11N3OS
Molecular Weight245.31 g/mol
Exact Mass245.06
IUPAC NameN-[(1S)-1-(furan-2-yl)ethyl]thieno[2,3-d]pyrimidin-4-amine
SMILESC[C@H](Nc1ncnc2sccc12)c1ccco1
InChIInChI=1S/C12H11N3OS/c1-8(10-3-2-5-16-10)15-11-9-4-6-17-12(9)14-7-13-11/h2-8H,1H3,(H,13,14,15)/t8-/m0/s1
InChIKeyFDNZJLPYTLXYHJ-QMMMGPOBSA-N
XLogP3.46
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.31
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(S)-furan-2-yl(phenyl)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 9450827
N-[1-(furan-2-yl)-2-methoxyethyl]thieno[2,3-d]pyrimidin-4-amine
CID 133336576
N-[(1R)-1-(furan-2-yl)ethyl]thieno[3,2-d]pyrimidin-4-amine
CID 41131806
N-[(1S)-1-(4-methylphenyl)ethyl]thieno[2,3-d]pyrimidin-4-amine
CID 155460692
N-[(1S)-1-(4-bromophenyl)ethyl]thieno[2,3-d]pyrimidin-4-amine
CID 9196052
N-[(1S)-1-(4-aminophenyl)ethyl]thieno[2,3-d]pyrimidin-4-amine
CID 155460392
N-[1-(4-fluorophenyl)ethyl]thieno[2,3-d]pyrimidin-4-amine
CID 13038313
2-N-thieno[2,3-d]pyrimidin-4-ylpropane-1,2-diamine
CID 63732565
N-[(1S)-1-(furan-2-yl)ethyl]-2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetamide
CID 41078126
N-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]thieno[2,3-d]pyrimidin-4-amine
CID 97184836
(2R)-3-methyl-2-(thieno[2,3-d]pyrimidin-4-ylamino)butanoic acid
CID 93263493
6-chloro-N-[1-(furan-2-yl)ethyl]-5-propan-2-ylpyrimidin-4-amine
CID 63728421

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(furan-2-yl)ethyl]thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-[(1S)-1-(furan-2-yl)ethyl]thieno[2,3-d]pyrimidin-4-amine (CID 9031350) is N-[(1S)-1-(furan-2-yl)ethyl]thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-[(1S)-1-(furan-2-yl)ethyl]thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-[(1S)-1-(furan-2-yl)ethyl]thieno[2,3-d]pyrimidin-4-amine is C[C@H](Nc1ncnc2sccc12)c1ccco1.
What is the InChIKey of N-[(1S)-1-(furan-2-yl)ethyl]thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is FDNZJLPYTLXYHJ-QMMMGPOBSA-N. The full InChI is InChI=1S/C12H11N3OS/c1-8(10-3-2-5-16-10)15-11-9-4-6-17-12(9)14-7-13-11/h2-8H,1H3,(H,13,14,15)/t8-/m0/s1.
What are the key properties of N-[(1S)-1-(furan-2-yl)ethyl]thieno[2,3-d]pyrimidin-4-amine?
N-[(1S)-1-(furan-2-yl)ethyl]thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 245.31 g/mol, XLogP of 3.46, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(furan-2-yl)ethyl]thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 9031350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).