2-[(2R)-3-amino-2-methylpropyl]-6-pyridazin-4-yl-3H-thieno[3,2-d]pyrimidin-4-one

C14H15N5OS — CID 137315857

IUPAC2-[(2R)-3-amino-2-methylpropyl]-6-pyridazin-4-yl-3H-thieno[3,2-d]pyrimidin-4-one
SMILESC[C@@H](CN)Cc1nc2cc(-c3ccnnc3)sc2c(=O)[nH]1
InChIInChI=1S/C14H15N5OS/c1-8(6-15)4-12-18-10-5-11(9-2-3-16-17-7-9)21-13(10)14(20)19-12/h2-3,5,7-8H,4,6,15H2,1H3,(H,18,19,20)/t8-/m1/s1
InChIKeyLVADDIQKIHHEPS-MRVPVSSYSA-N
MW301.38 g/mol
LogP1.58
Rot. Bonds4

About 2-[(2R)-3-amino-2-methylpropyl]-6-pyridazin-4-yl-3H-thieno[3,2-d]pyrimidin-4-one

2-[(2R)-3-amino-2-methylpropyl]-6-pyridazin-4-yl-3H-thieno[3,2-d]pyrimidin-4-one (PubChem CID 137315857) has the molecular formula C14H15N5OS and a molecular weight of 301.38 g/mol. Its IUPAC name is 2-[(2R)-3-amino-2-methylpropyl]-6-pyridazin-4-yl-3H-thieno[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-[(2R)-3-amino-2-methylpropyl]-6-pyridazin-4-yl-3H-thieno[3,2-d]pyrimidin-4-one
PubChem CID137315857
Molecular FormulaC14H15N5OS
Molecular Weight301.38 g/mol
Exact Mass301.10
IUPAC Name2-[(2R)-3-amino-2-methylpropyl]-6-pyridazin-4-yl-3H-thieno[3,2-d]pyrimidin-4-one
SMILESC[C@@H](CN)Cc1nc2cc(-c3ccnnc3)sc2c(=O)[nH]1
InChIInChI=1S/C14H15N5OS/c1-8(6-15)4-12-18-10-5-11(9-2-3-16-17-7-9)21-13(10)14(20)19-12/h2-3,5,7-8H,4,6,15H2,1H3,(H,18,19,20)/t8-/m1/s1
InChIKeyLVADDIQKIHHEPS-MRVPVSSYSA-N
XLogP1.58
TPSA97.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.38
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-3-amino-2-methylpropyl]-6-pyridazin-4-yl-3H-thieno[3,2-d]pyrimidin-4-one?
The IUPAC name of 2-[(2R)-3-amino-2-methylpropyl]-6-pyridazin-4-yl-3H-thieno[3,2-d]pyrimidin-4-one (CID 137315857) is 2-[(2R)-3-amino-2-methylpropyl]-6-pyridazin-4-yl-3H-thieno[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 2-[(2R)-3-amino-2-methylpropyl]-6-pyridazin-4-yl-3H-thieno[3,2-d]pyrimidin-4-one?
The canonical SMILES for 2-[(2R)-3-amino-2-methylpropyl]-6-pyridazin-4-yl-3H-thieno[3,2-d]pyrimidin-4-one is C[C@@H](CN)Cc1nc2cc(-c3ccnnc3)sc2c(=O)[nH]1.
What is the InChIKey of 2-[(2R)-3-amino-2-methylpropyl]-6-pyridazin-4-yl-3H-thieno[3,2-d]pyrimidin-4-one?
The InChIKey is LVADDIQKIHHEPS-MRVPVSSYSA-N. The full InChI is InChI=1S/C14H15N5OS/c1-8(6-15)4-12-18-10-5-11(9-2-3-16-17-7-9)21-13(10)14(20)19-12/h2-3,5,7-8H,4,6,15H2,1H3,(H,18,19,20)/t8-/m1/s1.
What are the key properties of 2-[(2R)-3-amino-2-methylpropyl]-6-pyridazin-4-yl-3H-thieno[3,2-d]pyrimidin-4-one?
2-[(2R)-3-amino-2-methylpropyl]-6-pyridazin-4-yl-3H-thieno[3,2-d]pyrimidin-4-one has a molecular weight of 301.38 g/mol, XLogP of 1.58, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-3-amino-2-methylpropyl]-6-pyridazin-4-yl-3H-thieno[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 137315857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).