(5S)-5-methyl-4-(4-methylpiperazin-1-yl)-5,7-dihydrothieno[3,4-d]pyrimidine

C12H18N4S — CID 71142946

IUPAC(5S)-5-methyl-4-(4-methylpiperazin-1-yl)-5,7-dihydrothieno[3,4-d]pyrimidine
SMILESC[C@@H]1SCc2ncnc(N3CCN(C)CC3)c21
InChIInChI=1S/C12H18N4S/c1-9-11-10(7-17-9)13-8-14-12(11)16-5-3-15(2)4-6-16/h8-9H,3-7H2,1-2H3/t9-/m0/s1
InChIKeyRUEXTKPBGIRJDN-VIFPVBQESA-N
MW250.37 g/mol
LogP1.54
Rot. Bonds1

About (5S)-5-methyl-4-(4-methylpiperazin-1-yl)-5,7-dihydrothieno[3,4-d]pyrimidine

(5S)-5-methyl-4-(4-methylpiperazin-1-yl)-5,7-dihydrothieno[3,4-d]pyrimidine (PubChem CID 71142946) has the molecular formula C12H18N4S and a molecular weight of 250.37 g/mol. Its IUPAC name is (5S)-5-methyl-4-(4-methylpiperazin-1-yl)-5,7-dihydrothieno[3,4-d]pyrimidine.

Molecular Properties

Compound Name(5S)-5-methyl-4-(4-methylpiperazin-1-yl)-5,7-dihydrothieno[3,4-d]pyrimidine
PubChem CID71142946
Molecular FormulaC12H18N4S
Molecular Weight250.37 g/mol
Exact Mass250.13
IUPAC Name(5S)-5-methyl-4-(4-methylpiperazin-1-yl)-5,7-dihydrothieno[3,4-d]pyrimidine
SMILESC[C@@H]1SCc2ncnc(N3CCN(C)CC3)c21
InChIInChI=1S/C12H18N4S/c1-9-11-10(7-17-9)13-8-14-12(11)16-5-3-15(2)4-6-16/h8-9H,3-7H2,1-2H3/t9-/m0/s1
InChIKeyRUEXTKPBGIRJDN-VIFPVBQESA-N
XLogP1.54
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.37
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (5S)-5-methyl-4-(4-methylpiperazin-1-yl)-5,7-dihydrothieno[3,4-d]pyrimidine?
The IUPAC name of (5S)-5-methyl-4-(4-methylpiperazin-1-yl)-5,7-dihydrothieno[3,4-d]pyrimidine (CID 71142946) is (5S)-5-methyl-4-(4-methylpiperazin-1-yl)-5,7-dihydrothieno[3,4-d]pyrimidine.
What is the SMILES notation for (5S)-5-methyl-4-(4-methylpiperazin-1-yl)-5,7-dihydrothieno[3,4-d]pyrimidine?
The canonical SMILES for (5S)-5-methyl-4-(4-methylpiperazin-1-yl)-5,7-dihydrothieno[3,4-d]pyrimidine is C[C@@H]1SCc2ncnc(N3CCN(C)CC3)c21.
What is the InChIKey of (5S)-5-methyl-4-(4-methylpiperazin-1-yl)-5,7-dihydrothieno[3,4-d]pyrimidine?
The InChIKey is RUEXTKPBGIRJDN-VIFPVBQESA-N. The full InChI is InChI=1S/C12H18N4S/c1-9-11-10(7-17-9)13-8-14-12(11)16-5-3-15(2)4-6-16/h8-9H,3-7H2,1-2H3/t9-/m0/s1.
What are the key properties of (5S)-5-methyl-4-(4-methylpiperazin-1-yl)-5,7-dihydrothieno[3,4-d]pyrimidine?
(5S)-5-methyl-4-(4-methylpiperazin-1-yl)-5,7-dihydrothieno[3,4-d]pyrimidine has a molecular weight of 250.37 g/mol, XLogP of 1.54, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-methyl-4-(4-methylpiperazin-1-yl)-5,7-dihydrothieno[3,4-d]pyrimidine is sourced from PubChem (CID 71142946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).