2-[(2-cyclopropylpropan-2-ylamino)methyl]-3H-thieno[3,2-d]pyrimidin-4-one

C13H17N3OS — CID 136870749

IUPAC2-[(2-cyclopropylpropan-2-ylamino)methyl]-3H-thieno[3,2-d]pyrimidin-4-one
SMILESCC(C)(NCc1nc2ccsc2c(=O)[nH]1)C1CC1
InChIInChI=1S/C13H17N3OS/c1-13(2,8-3-4-8)14-7-10-15-9-5-6-18-11(9)12(17)16-10/h5-6,8,14H,3-4,7H2,1-2H3,(H,15,16,17)
InChIKeyMGFQCOFESFOKBZ-UHFFFAOYSA-N
MW263.37 g/mol
LogP2.26
Rot. Bonds4

About 2-[(2-cyclopropylpropan-2-ylamino)methyl]-3H-thieno[3,2-d]pyrimidin-4-one

2-[(2-cyclopropylpropan-2-ylamino)methyl]-3H-thieno[3,2-d]pyrimidin-4-one (PubChem CID 136870749) has the molecular formula C13H17N3OS and a molecular weight of 263.37 g/mol. Its IUPAC name is 2-[(2-cyclopropylpropan-2-ylamino)methyl]-3H-thieno[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-[(2-cyclopropylpropan-2-ylamino)methyl]-3H-thieno[3,2-d]pyrimidin-4-one
PubChem CID136870749
Molecular FormulaC13H17N3OS
Molecular Weight263.37 g/mol
Exact Mass263.11
IUPAC Name2-[(2-cyclopropylpropan-2-ylamino)methyl]-3H-thieno[3,2-d]pyrimidin-4-one
SMILESCC(C)(NCc1nc2ccsc2c(=O)[nH]1)C1CC1
InChIInChI=1S/C13H17N3OS/c1-13(2,8-3-4-8)14-7-10-15-9-5-6-18-11(9)12(17)16-10/h5-6,8,14H,3-4,7H2,1-2H3,(H,15,16,17)
InChIKeyMGFQCOFESFOKBZ-UHFFFAOYSA-N
XLogP2.26
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.37
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-cyclopropylpropan-2-ylamino)methyl]-3H-thieno[3,2-d]pyrimidin-4-one?
The IUPAC name of 2-[(2-cyclopropylpropan-2-ylamino)methyl]-3H-thieno[3,2-d]pyrimidin-4-one (CID 136870749) is 2-[(2-cyclopropylpropan-2-ylamino)methyl]-3H-thieno[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 2-[(2-cyclopropylpropan-2-ylamino)methyl]-3H-thieno[3,2-d]pyrimidin-4-one?
The canonical SMILES for 2-[(2-cyclopropylpropan-2-ylamino)methyl]-3H-thieno[3,2-d]pyrimidin-4-one is CC(C)(NCc1nc2ccsc2c(=O)[nH]1)C1CC1.
What is the InChIKey of 2-[(2-cyclopropylpropan-2-ylamino)methyl]-3H-thieno[3,2-d]pyrimidin-4-one?
The InChIKey is MGFQCOFESFOKBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3OS/c1-13(2,8-3-4-8)14-7-10-15-9-5-6-18-11(9)12(17)16-10/h5-6,8,14H,3-4,7H2,1-2H3,(H,15,16,17).
What are the key properties of 2-[(2-cyclopropylpropan-2-ylamino)methyl]-3H-thieno[3,2-d]pyrimidin-4-one?
2-[(2-cyclopropylpropan-2-ylamino)methyl]-3H-thieno[3,2-d]pyrimidin-4-one has a molecular weight of 263.37 g/mol, XLogP of 2.26, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-cyclopropylpropan-2-ylamino)methyl]-3H-thieno[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 136870749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).