5-methyl-N-[(1S)-1-phenylethyl]thieno[2,3-d]pyrimidin-4-amine

C15H15N3S — CID 10923591

IUPAC5-methyl-N-[(1S)-1-phenylethyl]thieno[2,3-d]pyrimidin-4-amine
SMILESCc1csc2ncnc(N[C@@H](C)c3ccccc3)c12
InChIInChI=1S/C15H15N3S/c1-10-8-19-15-13(10)14(16-9-17-15)18-11(2)12-6-4-3-5-7-12/h3-9,11H,1-2H3,(H,16,17,18)/t11-/m0/s1
InChIKeyLCFHPSURWAMLTO-NSHDSACASA-N
MW269.37 g/mol
LogP4.17
Rot. Bonds3

About 5-methyl-N-[(1S)-1-phenylethyl]thieno[2,3-d]pyrimidin-4-amine

5-methyl-N-[(1S)-1-phenylethyl]thieno[2,3-d]pyrimidin-4-amine (PubChem CID 10923591) has the molecular formula C15H15N3S and a molecular weight of 269.37 g/mol. Its IUPAC name is 5-methyl-N-[(1S)-1-phenylethyl]thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name5-methyl-N-[(1S)-1-phenylethyl]thieno[2,3-d]pyrimidin-4-amine
PubChem CID10923591
Molecular FormulaC15H15N3S
Molecular Weight269.37 g/mol
Exact Mass269.10
IUPAC Name5-methyl-N-[(1S)-1-phenylethyl]thieno[2,3-d]pyrimidin-4-amine
SMILESCc1csc2ncnc(N[C@@H](C)c3ccccc3)c12
InChIInChI=1S/C15H15N3S/c1-10-8-19-15-13(10)14(16-9-17-15)18-11(2)12-6-4-3-5-7-12/h3-9,11H,1-2H3,(H,16,17,18)/t11-/m0/s1
InChIKeyLCFHPSURWAMLTO-NSHDSACASA-N
XLogP4.17
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(4-Aminothieno[2,3-d]pyrimidin-5-yl)phenyl]-3-(3-methylphenyl)urea
CID 6539985
4-Chloro-5-(4-fluorophenyl)thieno(2,3-d)pyrimidine
CID 2782911
4-Benzyl-1-(thieno(2,3-d)pyrimidin-4-yl)piperidine
CID 2100018
5,6-Dimethylthieno(2,3-d)pyrimidin-4-amine
CID 290232
2,4-Diamino-6-benzyl-5-methylthieno[2,3-d]pyrimidine
CID 457382
2-Phenylthieno(2,3-d)pyrimidin-4-amine
CID 62188326
5,6,7,8-Tetrahydrobenzo(4,5)thieno(2,3-d)pyrimidin-4-amine
CID 258149
4-Chloro-5-phenylthieno[2,3-d]pyrimidine
CID 708730
7,9-Dimethylpyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4-amine
CID 695484
Benzothieno[3,2-d]pyrimidine deriv. 51
CID 5328399
Benzothieno[3,2-d]pyrimidine deriv. 52
CID 5328400
3-(4-{4-Amino-6-methylthieno[2,3-d]pyrimidin-5-yl}phenyl)-1-phenylurea
CID 6539971

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[(1S)-1-phenylethyl]thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 5-methyl-N-[(1S)-1-phenylethyl]thieno[2,3-d]pyrimidin-4-amine (CID 10923591) is 5-methyl-N-[(1S)-1-phenylethyl]thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 5-methyl-N-[(1S)-1-phenylethyl]thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 5-methyl-N-[(1S)-1-phenylethyl]thieno[2,3-d]pyrimidin-4-amine is Cc1csc2ncnc(N[C@@H](C)c3ccccc3)c12.
What is the InChIKey of 5-methyl-N-[(1S)-1-phenylethyl]thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is LCFHPSURWAMLTO-NSHDSACASA-N. The full InChI is InChI=1S/C15H15N3S/c1-10-8-19-15-13(10)14(16-9-17-15)18-11(2)12-6-4-3-5-7-12/h3-9,11H,1-2H3,(H,16,17,18)/t11-/m0/s1.
What are the key properties of 5-methyl-N-[(1S)-1-phenylethyl]thieno[2,3-d]pyrimidin-4-amine?
5-methyl-N-[(1S)-1-phenylethyl]thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 269.37 g/mol, XLogP of 4.17, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[(1S)-1-phenylethyl]thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 10923591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).