7-[5-(aminomethyl)oxolan-2-yl]thieno[3,2-d]pyrimidin-4-amine;propane-2,2-diol

C14H22N4O3S — CID 170601310

IUPAC7-[5-(aminomethyl)oxolan-2-yl]thieno[3,2-d]pyrimidin-4-amine;propane-2,2-diol
SMILESCC(C)(O)O.NCC1CCC(c2csc3c(N)ncnc23)O1
InChIInChI=1S/C11H14N4OS.C3H8O2/c12-3-6-1-2-8(16-6)7-4-17-10-9(7)14-5-15-11(10)13;1-3(2,4)5/h4-6,8H,1-3,12H2,(H2,13,14,15);4-5H,1-2H3
InChIKeyXUSUZUOPNPPWEA-UHFFFAOYSA-N
MW326.42 g/mol
LogP1.16
Rot. Bonds2

About 7-[5-(aminomethyl)oxolan-2-yl]thieno[3,2-d]pyrimidin-4-amine;propane-2,2-diol

7-[5-(aminomethyl)oxolan-2-yl]thieno[3,2-d]pyrimidin-4-amine;propane-2,2-diol (PubChem CID 170601310) has the molecular formula C14H22N4O3S and a molecular weight of 326.42 g/mol. Its IUPAC name is 7-[5-(aminomethyl)oxolan-2-yl]thieno[3,2-d]pyrimidin-4-amine;propane-2,2-diol.

Molecular Properties

Compound Name7-[5-(aminomethyl)oxolan-2-yl]thieno[3,2-d]pyrimidin-4-amine;propane-2,2-diol
PubChem CID170601310
Molecular FormulaC14H22N4O3S
Molecular Weight326.42 g/mol
Exact Mass326.14
IUPAC Name7-[5-(aminomethyl)oxolan-2-yl]thieno[3,2-d]pyrimidin-4-amine;propane-2,2-diol
SMILESCC(C)(O)O.NCC1CCC(c2csc3c(N)ncnc23)O1
InChIInChI=1S/C11H14N4OS.C3H8O2/c12-3-6-1-2-8(16-6)7-4-17-10-9(7)14-5-15-11(10)13;1-3(2,4)5/h4-6,8H,1-3,12H2,(H2,13,14,15);4-5H,1-2H3
InChIKeyXUSUZUOPNPPWEA-UHFFFAOYSA-N
XLogP1.16
TPSA127.51 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.42
LogP ≤ 51.16
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-[5-(aminomethyl)oxolan-2-yl]thieno[3,2-d]pyrimidin-4-amine;propane-2,2-diol?
The IUPAC name of 7-[5-(aminomethyl)oxolan-2-yl]thieno[3,2-d]pyrimidin-4-amine;propane-2,2-diol (CID 170601310) is 7-[5-(aminomethyl)oxolan-2-yl]thieno[3,2-d]pyrimidin-4-amine;propane-2,2-diol.
What is the SMILES notation for 7-[5-(aminomethyl)oxolan-2-yl]thieno[3,2-d]pyrimidin-4-amine;propane-2,2-diol?
The canonical SMILES for 7-[5-(aminomethyl)oxolan-2-yl]thieno[3,2-d]pyrimidin-4-amine;propane-2,2-diol is CC(C)(O)O.NCC1CCC(c2csc3c(N)ncnc23)O1.
What is the InChIKey of 7-[5-(aminomethyl)oxolan-2-yl]thieno[3,2-d]pyrimidin-4-amine;propane-2,2-diol?
The InChIKey is XUSUZUOPNPPWEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4OS.C3H8O2/c12-3-6-1-2-8(16-6)7-4-17-10-9(7)14-5-15-11(10)13;1-3(2,4)5/h4-6,8H,1-3,12H2,(H2,13,14,15);4-5H,1-2H3.
What are the key properties of 7-[5-(aminomethyl)oxolan-2-yl]thieno[3,2-d]pyrimidin-4-amine;propane-2,2-diol?
7-[5-(aminomethyl)oxolan-2-yl]thieno[3,2-d]pyrimidin-4-amine;propane-2,2-diol has a molecular weight of 326.42 g/mol, XLogP of 1.16, 2 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[5-(aminomethyl)oxolan-2-yl]thieno[3,2-d]pyrimidin-4-amine;propane-2,2-diol is sourced from PubChem (CID 170601310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).