(6S)-2-amino-6-[4-(6-fluoro-5-methyl-3-pyridinyl)thiophen-2-yl]-3,6-dimethyl-5H-pyrimidin-4-one

C16H17FN4OS — CID 59386724

IUPAC(6S)-2-amino-6-[4-(6-fluoro-5-methyl-3-pyridinyl)thiophen-2-yl]-3,6-dimethyl-5H-pyrimidin-4-one
SMILESCc1cc(-c2csc([C@]3(C)CC(=O)N(C)C(N)=N3)c2)cnc1F
InChIInChI=1S/C16H17FN4OS/c1-9-4-10(7-19-14(9)17)11-5-12(23-8-11)16(2)6-13(22)21(3)15(18)20-16/h4-5,7-8H,6H2,1-3H3,(H2,18,20)/t16-/m0/s1
InChIKeyNXBAFFOWFGUIRI-INIZCTEOSA-N
MW332.40 g/mol
LogP2.65
Rot. Bonds2

About (6S)-2-amino-6-[4-(6-fluoro-5-methyl-3-pyridinyl)thiophen-2-yl]-3,6-dimethyl-5H-pyrimidin-4-one

(6S)-2-amino-6-[4-(6-fluoro-5-methyl-3-pyridinyl)thiophen-2-yl]-3,6-dimethyl-5H-pyrimidin-4-one (PubChem CID 59386724) has the molecular formula C16H17FN4OS and a molecular weight of 332.40 g/mol. Its IUPAC name is (6S)-2-amino-6-[4-(6-fluoro-5-methyl-3-pyridinyl)thiophen-2-yl]-3,6-dimethyl-5H-pyrimidin-4-one.

Molecular Properties

Compound Name(6S)-2-amino-6-[4-(6-fluoro-5-methyl-3-pyridinyl)thiophen-2-yl]-3,6-dimethyl-5H-pyrimidin-4-one
PubChem CID59386724
Molecular FormulaC16H17FN4OS
Molecular Weight332.40 g/mol
Exact Mass332.11
IUPAC Name(6S)-2-amino-6-[4-(6-fluoro-5-methyl-3-pyridinyl)thiophen-2-yl]-3,6-dimethyl-5H-pyrimidin-4-one
SMILESCc1cc(-c2csc([C@]3(C)CC(=O)N(C)C(N)=N3)c2)cnc1F
InChIInChI=1S/C16H17FN4OS/c1-9-4-10(7-19-14(9)17)11-5-12(23-8-11)16(2)6-13(22)21(3)15(18)20-16/h4-5,7-8H,6H2,1-3H3,(H2,18,20)/t16-/m0/s1
InChIKeyNXBAFFOWFGUIRI-INIZCTEOSA-N
XLogP2.65
TPSA71.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (6S)-2-amino-6-[4-(6-fluoro-5-methyl-3-pyridinyl)thiophen-2-yl]-3,6-dimethyl-5H-pyrimidin-4-one?
The IUPAC name of (6S)-2-amino-6-[4-(6-fluoro-5-methyl-3-pyridinyl)thiophen-2-yl]-3,6-dimethyl-5H-pyrimidin-4-one (CID 59386724) is (6S)-2-amino-6-[4-(6-fluoro-5-methyl-3-pyridinyl)thiophen-2-yl]-3,6-dimethyl-5H-pyrimidin-4-one.
What is the SMILES notation for (6S)-2-amino-6-[4-(6-fluoro-5-methyl-3-pyridinyl)thiophen-2-yl]-3,6-dimethyl-5H-pyrimidin-4-one?
The canonical SMILES for (6S)-2-amino-6-[4-(6-fluoro-5-methyl-3-pyridinyl)thiophen-2-yl]-3,6-dimethyl-5H-pyrimidin-4-one is Cc1cc(-c2csc([C@]3(C)CC(=O)N(C)C(N)=N3)c2)cnc1F.
What is the InChIKey of (6S)-2-amino-6-[4-(6-fluoro-5-methyl-3-pyridinyl)thiophen-2-yl]-3,6-dimethyl-5H-pyrimidin-4-one?
The InChIKey is NXBAFFOWFGUIRI-INIZCTEOSA-N. The full InChI is InChI=1S/C16H17FN4OS/c1-9-4-10(7-19-14(9)17)11-5-12(23-8-11)16(2)6-13(22)21(3)15(18)20-16/h4-5,7-8H,6H2,1-3H3,(H2,18,20)/t16-/m0/s1.
What are the key properties of (6S)-2-amino-6-[4-(6-fluoro-5-methyl-3-pyridinyl)thiophen-2-yl]-3,6-dimethyl-5H-pyrimidin-4-one?
(6S)-2-amino-6-[4-(6-fluoro-5-methyl-3-pyridinyl)thiophen-2-yl]-3,6-dimethyl-5H-pyrimidin-4-one has a molecular weight of 332.40 g/mol, XLogP of 2.65, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-2-amino-6-[4-(6-fluoro-5-methyl-3-pyridinyl)thiophen-2-yl]-3,6-dimethyl-5H-pyrimidin-4-one is sourced from PubChem (CID 59386724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).