2-(1-amino-2-methylpropyl)-6-(2-methyl-4-pyridinyl)-3H-thieno[3,2-d]pyrimidin-4-one;hydrochloride

C16H19ClN4OS — CID 146371601

IUPAC2-(1-amino-2-methylpropyl)-6-(2-methyl-4-pyridinyl)-3H-thieno[3,2-d]pyrimidin-4-one;hydrochloride
SMILESCc1cc(-c2cc3nc(C(N)C(C)C)[nH]c(=O)c3s2)ccn1.Cl
InChIInChI=1S/C16H18N4OS.ClH/c1-8(2)13(17)15-19-11-7-12(22-14(11)16(21)20-15)10-4-5-18-9(3)6-10;/h4-8,13H,17H2,1-3H3,(H,19,20,21);1H
InChIKeyDSKWELZEGDTNHK-UHFFFAOYSA-N
MW350.88 g/mol
LogP3.43
Rot. Bonds3

About 2-(1-amino-2-methylpropyl)-6-(2-methyl-4-pyridinyl)-3H-thieno[3,2-d]pyrimidin-4-one;hydrochloride

2-(1-amino-2-methylpropyl)-6-(2-methyl-4-pyridinyl)-3H-thieno[3,2-d]pyrimidin-4-one;hydrochloride (PubChem CID 146371601) has the molecular formula C16H19ClN4OS and a molecular weight of 350.88 g/mol. Its IUPAC name is 2-(1-amino-2-methylpropyl)-6-(2-methyl-4-pyridinyl)-3H-thieno[3,2-d]pyrimidin-4-one;hydrochloride.

Molecular Properties

Compound Name2-(1-amino-2-methylpropyl)-6-(2-methyl-4-pyridinyl)-3H-thieno[3,2-d]pyrimidin-4-one;hydrochloride
PubChem CID146371601
Molecular FormulaC16H19ClN4OS
Molecular Weight350.88 g/mol
Exact Mass350.10
IUPAC Name2-(1-amino-2-methylpropyl)-6-(2-methyl-4-pyridinyl)-3H-thieno[3,2-d]pyrimidin-4-one;hydrochloride
SMILESCc1cc(-c2cc3nc(C(N)C(C)C)[nH]c(=O)c3s2)ccn1.Cl
InChIInChI=1S/C16H18N4OS.ClH/c1-8(2)13(17)15-19-11-7-12(22-14(11)16(21)20-15)10-4-5-18-9(3)6-10;/h4-8,13H,17H2,1-3H3,(H,19,20,21);1H
InChIKeyDSKWELZEGDTNHK-UHFFFAOYSA-N
XLogP3.43
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.88
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(1-amino-2-methylpropyl)-6-(2-methyl-4-pyridinyl)-3H-thieno[3,2-d]pyrimidin-4-one;hydrochloride?
The IUPAC name of 2-(1-amino-2-methylpropyl)-6-(2-methyl-4-pyridinyl)-3H-thieno[3,2-d]pyrimidin-4-one;hydrochloride (CID 146371601) is 2-(1-amino-2-methylpropyl)-6-(2-methyl-4-pyridinyl)-3H-thieno[3,2-d]pyrimidin-4-one;hydrochloride.
What is the SMILES notation for 2-(1-amino-2-methylpropyl)-6-(2-methyl-4-pyridinyl)-3H-thieno[3,2-d]pyrimidin-4-one;hydrochloride?
The canonical SMILES for 2-(1-amino-2-methylpropyl)-6-(2-methyl-4-pyridinyl)-3H-thieno[3,2-d]pyrimidin-4-one;hydrochloride is Cc1cc(-c2cc3nc(C(N)C(C)C)[nH]c(=O)c3s2)ccn1.Cl.
What is the InChIKey of 2-(1-amino-2-methylpropyl)-6-(2-methyl-4-pyridinyl)-3H-thieno[3,2-d]pyrimidin-4-one;hydrochloride?
The InChIKey is DSKWELZEGDTNHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4OS.ClH/c1-8(2)13(17)15-19-11-7-12(22-14(11)16(21)20-15)10-4-5-18-9(3)6-10;/h4-8,13H,17H2,1-3H3,(H,19,20,21);1H.
What are the key properties of 2-(1-amino-2-methylpropyl)-6-(2-methyl-4-pyridinyl)-3H-thieno[3,2-d]pyrimidin-4-one;hydrochloride?
2-(1-amino-2-methylpropyl)-6-(2-methyl-4-pyridinyl)-3H-thieno[3,2-d]pyrimidin-4-one;hydrochloride has a molecular weight of 350.88 g/mol, XLogP of 3.43, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-amino-2-methylpropyl)-6-(2-methyl-4-pyridinyl)-3H-thieno[3,2-d]pyrimidin-4-one;hydrochloride is sourced from PubChem (CID 146371601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).