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

C15H15N3S — CID 11011036

IUPAC7-methyl-N-[(1S)-1-phenylethyl]thieno[3,2-d]pyrimidin-4-amine
SMILESCc1csc2c(N[C@@H](C)c3ccccc3)ncnc12
InChIInChI=1S/C15H15N3S/c1-10-8-19-14-13(10)16-9-17-15(14)18-11(2)12-6-4-3-5-7-12/h3-9,11H,1-2H3,(H,16,17,18)/t11-/m0/s1
InChIKeyTZZBXWCUBUFGEA-NSHDSACASA-N
MW269.37 g/mol
LogP4.17
Rot. Bonds3

About 7-methyl-N-[(1S)-1-phenylethyl]thieno[3,2-d]pyrimidin-4-amine

7-methyl-N-[(1S)-1-phenylethyl]thieno[3,2-d]pyrimidin-4-amine (PubChem CID 11011036) has the molecular formula C15H15N3S and a molecular weight of 269.37 g/mol. Its IUPAC name is 7-methyl-N-[(1S)-1-phenylethyl]thieno[3,2-d]pyrimidin-4-amine.

Molecular Properties

Compound Name7-methyl-N-[(1S)-1-phenylethyl]thieno[3,2-d]pyrimidin-4-amine
PubChem CID11011036
Molecular FormulaC15H15N3S
Molecular Weight269.37 g/mol
Exact Mass269.10
IUPAC Name7-methyl-N-[(1S)-1-phenylethyl]thieno[3,2-d]pyrimidin-4-amine
SMILESCc1csc2c(N[C@@H](C)c3ccccc3)ncnc12
InChIInChI=1S/C15H15N3S/c1-10-8-19-14-13(10)16-9-17-15(14)18-11(2)12-6-4-3-5-7-12/h3-9,11H,1-2H3,(H,16,17,18)/t11-/m0/s1
InChIKeyTZZBXWCUBUFGEA-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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Frequently Asked Questions

What is the IUPAC name of 7-methyl-N-[(1S)-1-phenylethyl]thieno[3,2-d]pyrimidin-4-amine?
The IUPAC name of 7-methyl-N-[(1S)-1-phenylethyl]thieno[3,2-d]pyrimidin-4-amine (CID 11011036) is 7-methyl-N-[(1S)-1-phenylethyl]thieno[3,2-d]pyrimidin-4-amine.
What is the SMILES notation for 7-methyl-N-[(1S)-1-phenylethyl]thieno[3,2-d]pyrimidin-4-amine?
The canonical SMILES for 7-methyl-N-[(1S)-1-phenylethyl]thieno[3,2-d]pyrimidin-4-amine is Cc1csc2c(N[C@@H](C)c3ccccc3)ncnc12.
What is the InChIKey of 7-methyl-N-[(1S)-1-phenylethyl]thieno[3,2-d]pyrimidin-4-amine?
The InChIKey is TZZBXWCUBUFGEA-NSHDSACASA-N. The full InChI is InChI=1S/C15H15N3S/c1-10-8-19-14-13(10)16-9-17-15(14)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 7-methyl-N-[(1S)-1-phenylethyl]thieno[3,2-d]pyrimidin-4-amine?
7-methyl-N-[(1S)-1-phenylethyl]thieno[3,2-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 7-methyl-N-[(1S)-1-phenylethyl]thieno[3,2-d]pyrimidin-4-amine is sourced from PubChem (CID 11011036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).