N-[(E)-pent-2-en-2-yl]thieno[3,2-d]pyrimidin-2-amine

C11H13N3S — CID 155032361

IUPACN-[(E)-pent-2-en-2-yl]thieno[3,2-d]pyrimidin-2-amine
SMILESCC/C=C(\C)Nc1ncc2sccc2n1
InChIInChI=1S/C11H13N3S/c1-3-4-8(2)13-11-12-7-10-9(14-11)5-6-15-10/h4-7H,3H2,1-2H3,(H,12,13,14)/b8-4+
InChIKeyNLOUVUBJIIIXNW-XBXARRHUSA-N
MW219.31 g/mol
LogP3.42
Rot. Bonds3

About N-[(E)-pent-2-en-2-yl]thieno[3,2-d]pyrimidin-2-amine

N-[(E)-pent-2-en-2-yl]thieno[3,2-d]pyrimidin-2-amine (PubChem CID 155032361) has the molecular formula C11H13N3S and a molecular weight of 219.31 g/mol. Its IUPAC name is N-[(E)-pent-2-en-2-yl]thieno[3,2-d]pyrimidin-2-amine.

Molecular Properties

Compound NameN-[(E)-pent-2-en-2-yl]thieno[3,2-d]pyrimidin-2-amine
PubChem CID155032361
Molecular FormulaC11H13N3S
Molecular Weight219.31 g/mol
Exact Mass219.08
IUPAC NameN-[(E)-pent-2-en-2-yl]thieno[3,2-d]pyrimidin-2-amine
SMILESCC/C=C(\C)Nc1ncc2sccc2n1
InChIInChI=1S/C11H13N3S/c1-3-4-8(2)13-11-12-7-10-9(14-11)5-6-15-10/h4-7H,3H2,1-2H3,(H,12,13,14)/b8-4+
InChIKeyNLOUVUBJIIIXNW-XBXARRHUSA-N
XLogP3.42
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.31
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-bromoprop-2-enyl)thieno[3,2-d]pyrimidin-2-amine
CID 130986276
thieno[3,2-d]pyrimidin-2-ylmethanamine
CID 82414555
N-[(3,4,5-trimethoxyphenyl)methyl]thieno[3,2-d]pyrimidin-2-amine
CID 163723742
1-N-[2-(dimethylamino)ethyl]-4-N-thieno[3,2-d]pyrimidin-2-ylbenzene-1,4-diamine
CID 141314561
2-fluorothieno[3,2-d]pyrimidine
CID 155821803
N-[2-(5-fluoro-2-pyridinyl)propyl]thieno[3,2-d]pyrimidin-2-amine
CID 166395521
N-[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]thieno[3,2-d]pyrimidin-2-amine
CID 141299425
N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]thieno[3,2-d]pyrimidin-2-amine
CID 151602434
N-(3-morpholin-4-ylpropyl)thieno[3,2-d]pyrimidin-2-amine
CID 91801780
3-ethyl-5-N-[(Z)-pent-2-en-2-yl]pyridine-2,5-diamine
CID 169112998
propanediamide;thieno[3,2-d]pyrimidine
CID 67279021
acetic acid;thieno[3,2-d]pyrimidine
CID 66697178

Frequently Asked Questions

What is the IUPAC name of N-[(E)-pent-2-en-2-yl]thieno[3,2-d]pyrimidin-2-amine?
The IUPAC name of N-[(E)-pent-2-en-2-yl]thieno[3,2-d]pyrimidin-2-amine (CID 155032361) is N-[(E)-pent-2-en-2-yl]thieno[3,2-d]pyrimidin-2-amine.
What is the SMILES notation for N-[(E)-pent-2-en-2-yl]thieno[3,2-d]pyrimidin-2-amine?
The canonical SMILES for N-[(E)-pent-2-en-2-yl]thieno[3,2-d]pyrimidin-2-amine is CC/C=C(\C)Nc1ncc2sccc2n1.
What is the InChIKey of N-[(E)-pent-2-en-2-yl]thieno[3,2-d]pyrimidin-2-amine?
The InChIKey is NLOUVUBJIIIXNW-XBXARRHUSA-N. The full InChI is InChI=1S/C11H13N3S/c1-3-4-8(2)13-11-12-7-10-9(14-11)5-6-15-10/h4-7H,3H2,1-2H3,(H,12,13,14)/b8-4+.
What are the key properties of N-[(E)-pent-2-en-2-yl]thieno[3,2-d]pyrimidin-2-amine?
N-[(E)-pent-2-en-2-yl]thieno[3,2-d]pyrimidin-2-amine has a molecular weight of 219.31 g/mol, XLogP of 3.42, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-pent-2-en-2-yl]thieno[3,2-d]pyrimidin-2-amine is sourced from PubChem (CID 155032361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).