1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)pentan-2-amine

C13H19N3S — CID 63196494

IUPAC1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)pentan-2-amine
SMILESCCCC(N)Cc1ncnc2sc(C)c(C)c12
InChIInChI=1S/C13H19N3S/c1-4-5-10(14)6-11-12-8(2)9(3)17-13(12)16-7-15-11/h7,10H,4-6,14H2,1-3H3
InChIKeyIVZKFINMBGVBPH-UHFFFAOYSA-N
MW249.38 g/mol
LogP2.98
Rot. Bonds4

About 1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)pentan-2-amine

1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)pentan-2-amine (PubChem CID 63196494) has the molecular formula C13H19N3S and a molecular weight of 249.38 g/mol. Its IUPAC name is 1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)pentan-2-amine.

Molecular Properties

Compound Name1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)pentan-2-amine
PubChem CID63196494
Molecular FormulaC13H19N3S
Molecular Weight249.38 g/mol
Exact Mass249.13
IUPAC Name1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)pentan-2-amine
SMILESCCCC(N)Cc1ncnc2sc(C)c(C)c12
InChIInChI=1S/C13H19N3S/c1-4-5-10(14)6-11-12-8(2)9(3)17-13(12)16-7-15-11/h7,10H,4-6,14H2,1-3H3
InChIKeyIVZKFINMBGVBPH-UHFFFAOYSA-N
XLogP2.98
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.38
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5,6-Dimethylthieno(2,3-d)pyrimidin-4-amine
CID 290232
7,8,9-Trimethylpyrido[2,3]thieno[2,4-d]pyrimidin-4-amine
CID 702319
5,6,7,8-Tetrahydrobenzo(4,5)thieno(2,3-d)pyrimidin-4-amine
CID 258149
12-Ethyl-11,13-dimethyl-8-thia-3,5,10-triazatricyclo[7.4.0.0^{2,7}]trideca-1(13),2(7),3,5,9,11-hexaen-6-amine
CID 25190900
4-N,4-N-dimethyl-1-N-(7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-yl)cyclohexane-1,4-diamine
CID 57519811
5,6-Dimethyl-4-(methylsulfanyl)thieno[2,3-D]pyrimidine
CID 865968
5-methyl-N-[(1S)-1-phenylethyl]thieno[2,3-d]pyrimidin-4-amine
CID 10923591
7-Thia-9,11-diazatricyclo(6.4.0.0,2,6)dodeca-1(12),2(6),8,10-tetraen-12-amine
CID 405801
3-Chloro-8-thia-4,6-diazatricyclo[7.4.0.0,2,7]trideca-1(9),2,4,6-tetraene
CID 699515
11,13-Dimethyl-12-(prop-2-en-1-yl)-8-thia-3,5,10-triazatricyclo[7.4.0.0^{2,7}]trideca-1(13),2(7),3,5,9,11-hexaen-6-amine
CID 11448608
7-Methyl-10-thia-8,13,15-triazatetracyclo[7.7.0.0^{2,6}.0^{11,16}]hexadeca-1,6,8,11(16),12,14-hexaen-12-amine
CID 25190902
16-Methyl-8-thia-3,5,10-triazatetracyclo[7.7.0.0^{2,7}.0^{11,15}]hexadeca-1(16),2(7),3,5,9,11(15)-hexaen-6-amine
CID 25190903

Frequently Asked Questions

What is the IUPAC name of 1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)pentan-2-amine?
The IUPAC name of 1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)pentan-2-amine (CID 63196494) is 1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)pentan-2-amine.
What is the SMILES notation for 1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)pentan-2-amine?
The canonical SMILES for 1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)pentan-2-amine is CCCC(N)Cc1ncnc2sc(C)c(C)c12.
What is the InChIKey of 1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)pentan-2-amine?
The InChIKey is IVZKFINMBGVBPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3S/c1-4-5-10(14)6-11-12-8(2)9(3)17-13(12)16-7-15-11/h7,10H,4-6,14H2,1-3H3.
What are the key properties of 1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)pentan-2-amine?
1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)pentan-2-amine has a molecular weight of 249.38 g/mol, XLogP of 2.98, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)pentan-2-amine is sourced from PubChem (CID 63196494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).