2-cyclopropyl-4-piperazin-1-yl-5,7-dihydrothieno[3,4-d]pyrimidine

C13H18N4S — CID 15055742

IUPAC2-cyclopropyl-4-piperazin-1-yl-5,7-dihydrothieno[3,4-d]pyrimidine
SMILESC1CN(c2nc(C3CC3)nc3c2CSC3)CCN1
InChIInChI=1S/C13H18N4S/c1-2-9(1)12-15-11-8-18-7-10(11)13(16-12)17-5-3-14-4-6-17/h9,14H,1-8H2
InChIKeyFPOMJKNSPGBUIS-UHFFFAOYSA-N
MW262.38 g/mol
LogP1.51
Rot. Bonds2

About 2-cyclopropyl-4-piperazin-1-yl-5,7-dihydrothieno[3,4-d]pyrimidine

2-cyclopropyl-4-piperazin-1-yl-5,7-dihydrothieno[3,4-d]pyrimidine (PubChem CID 15055742) has the molecular formula C13H18N4S and a molecular weight of 262.38 g/mol. Its IUPAC name is 2-cyclopropyl-4-piperazin-1-yl-5,7-dihydrothieno[3,4-d]pyrimidine.

Molecular Properties

Compound Name2-cyclopropyl-4-piperazin-1-yl-5,7-dihydrothieno[3,4-d]pyrimidine
PubChem CID15055742
Molecular FormulaC13H18N4S
Molecular Weight262.38 g/mol
Exact Mass262.13
IUPAC Name2-cyclopropyl-4-piperazin-1-yl-5,7-dihydrothieno[3,4-d]pyrimidine
SMILESC1CN(c2nc(C3CC3)nc3c2CSC3)CCN1
InChIInChI=1S/C13H18N4S/c1-2-9(1)12-15-11-8-18-7-10(11)13(16-12)17-5-3-14-4-6-17/h9,14H,1-8H2
InChIKeyFPOMJKNSPGBUIS-UHFFFAOYSA-N
XLogP1.51
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.38
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-4-piperazin-1-yl-5,7-dihydrothieno[3,4-d]pyrimidine?
The IUPAC name of 2-cyclopropyl-4-piperazin-1-yl-5,7-dihydrothieno[3,4-d]pyrimidine (CID 15055742) is 2-cyclopropyl-4-piperazin-1-yl-5,7-dihydrothieno[3,4-d]pyrimidine.
What is the SMILES notation for 2-cyclopropyl-4-piperazin-1-yl-5,7-dihydrothieno[3,4-d]pyrimidine?
The canonical SMILES for 2-cyclopropyl-4-piperazin-1-yl-5,7-dihydrothieno[3,4-d]pyrimidine is C1CN(c2nc(C3CC3)nc3c2CSC3)CCN1.
What is the InChIKey of 2-cyclopropyl-4-piperazin-1-yl-5,7-dihydrothieno[3,4-d]pyrimidine?
The InChIKey is FPOMJKNSPGBUIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4S/c1-2-9(1)12-15-11-8-18-7-10(11)13(16-12)17-5-3-14-4-6-17/h9,14H,1-8H2.
What are the key properties of 2-cyclopropyl-4-piperazin-1-yl-5,7-dihydrothieno[3,4-d]pyrimidine?
2-cyclopropyl-4-piperazin-1-yl-5,7-dihydrothieno[3,4-d]pyrimidine has a molecular weight of 262.38 g/mol, XLogP of 1.51, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-4-piperazin-1-yl-5,7-dihydrothieno[3,4-d]pyrimidine is sourced from PubChem (CID 15055742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).