N-[1-[4-(5-cyclopropylpyridazin-3-yl)phenyl]ethyl]thieno[2,3-d]pyrimidin-4-amine

C21H19N5S — CID 155460806

IUPACN-[1-[4-(5-cyclopropylpyridazin-3-yl)phenyl]ethyl]thieno[2,3-d]pyrimidin-4-amine
SMILESCC(Nc1ncnc2sccc12)c1ccc(-c2cc(C3CC3)cnn2)cc1
InChIInChI=1S/C21H19N5S/c1-13(25-20-18-8-9-27-21(18)23-12-22-20)14-2-6-16(7-3-14)19-10-17(11-24-26-19)15-4-5-15/h2-3,6-13,15H,4-5H2,1H3,(H,22,23,25)
InChIKeyATGDQYWWRAKQFQ-UHFFFAOYSA-N
MW373.49 g/mol
LogP5.20
Rot. Bonds5

About N-[1-[4-(5-cyclopropylpyridazin-3-yl)phenyl]ethyl]thieno[2,3-d]pyrimidin-4-amine

N-[1-[4-(5-cyclopropylpyridazin-3-yl)phenyl]ethyl]thieno[2,3-d]pyrimidin-4-amine (PubChem CID 155460806) has the molecular formula C21H19N5S and a molecular weight of 373.49 g/mol. Its IUPAC name is N-[1-[4-(5-cyclopropylpyridazin-3-yl)phenyl]ethyl]thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[1-[4-(5-cyclopropylpyridazin-3-yl)phenyl]ethyl]thieno[2,3-d]pyrimidin-4-amine
PubChem CID155460806
Molecular FormulaC21H19N5S
Molecular Weight373.49 g/mol
Exact Mass373.14
IUPAC NameN-[1-[4-(5-cyclopropylpyridazin-3-yl)phenyl]ethyl]thieno[2,3-d]pyrimidin-4-amine
SMILESCC(Nc1ncnc2sccc12)c1ccc(-c2cc(C3CC3)cnn2)cc1
InChIInChI=1S/C21H19N5S/c1-13(25-20-18-8-9-27-21(18)23-12-22-20)14-2-6-16(7-3-14)19-10-17(11-24-26-19)15-4-5-15/h2-3,6-13,15H,4-5H2,1H3,(H,22,23,25)
InChIKeyATGDQYWWRAKQFQ-UHFFFAOYSA-N
XLogP5.20
TPSA63.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.49
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(1S)-1-(4-methylphenyl)ethyl]thieno[2,3-d]pyrimidin-4-amine
CID 155460692
N-[1-(4-fluorophenyl)ethyl]thieno[2,3-d]pyrimidin-4-amine
CID 13038313
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-[4-(oxetan-3-yl)triazol-1-yl]phenyl]ethyl]thieno[2,3-d]pyrimidin-4-amine
CID 155460600
N-[1-[4-[amino-[(Z)-1-amino-1-cyclopropylprop-1-en-2-yl]amino]phenyl]ethyl]thieno[2,3-d]pyrimidin-4-amine
CID 155571464
N-[1-[4-(2,2,2-trifluoroethoxy)phenyl]ethyl]thieno[2,3-d]pyrimidin-4-amine
CID 47984115
N-[1-(1-cyclopropyltetrazol-5-yl)ethyl]thieno[2,3-d]pyrimidin-4-amine
CID 154786699
N-[(R)-cyclopropyl(phenyl)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 41332400
N-[(1S)-1-(furan-2-yl)ethyl]thieno[2,3-d]pyrimidin-4-amine
CID 9031350
N-cyclobutylthieno[2,3-d]pyrimidin-4-amine
CID 13038304
2-N-thieno[2,3-d]pyrimidin-4-ylpropane-1,2-diamine
CID 63732565

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(5-cyclopropylpyridazin-3-yl)phenyl]ethyl]thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-[1-[4-(5-cyclopropylpyridazin-3-yl)phenyl]ethyl]thieno[2,3-d]pyrimidin-4-amine (CID 155460806) is N-[1-[4-(5-cyclopropylpyridazin-3-yl)phenyl]ethyl]thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-[1-[4-(5-cyclopropylpyridazin-3-yl)phenyl]ethyl]thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-[1-[4-(5-cyclopropylpyridazin-3-yl)phenyl]ethyl]thieno[2,3-d]pyrimidin-4-amine is CC(Nc1ncnc2sccc12)c1ccc(-c2cc(C3CC3)cnn2)cc1.
What is the InChIKey of N-[1-[4-(5-cyclopropylpyridazin-3-yl)phenyl]ethyl]thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is ATGDQYWWRAKQFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5S/c1-13(25-20-18-8-9-27-21(18)23-12-22-20)14-2-6-16(7-3-14)19-10-17(11-24-26-19)15-4-5-15/h2-3,6-13,15H,4-5H2,1H3,(H,22,23,25).
What are the key properties of N-[1-[4-(5-cyclopropylpyridazin-3-yl)phenyl]ethyl]thieno[2,3-d]pyrimidin-4-amine?
N-[1-[4-(5-cyclopropylpyridazin-3-yl)phenyl]ethyl]thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 373.49 g/mol, XLogP of 5.20, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-(5-cyclopropylpyridazin-3-yl)phenyl]ethyl]thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 155460806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).