2-chloro-N-(4-fluoro-3-methylphenyl)-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine

C13H11ClFN3S — CID 114268265

IUPAC2-chloro-N-(4-fluoro-3-methylphenyl)-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine
SMILESCc1cc(Nc2nc(Cl)nc3c2SCC3)ccc1F
InChIInChI=1S/C13H11ClFN3S/c1-7-6-8(2-3-9(7)15)16-12-11-10(4-5-19-11)17-13(14)18-12/h2-3,6H,4-5H2,1H3,(H,16,17,18)
InChIKeyAVKZUQVOVKRTTO-UHFFFAOYSA-N
MW295.77 g/mol
LogP3.97
Rot. Bonds2

About 2-chloro-N-(4-fluoro-3-methylphenyl)-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine

2-chloro-N-(4-fluoro-3-methylphenyl)-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine (PubChem CID 114268265) has the molecular formula C13H11ClFN3S and a molecular weight of 295.77 g/mol. Its IUPAC name is 2-chloro-N-(4-fluoro-3-methylphenyl)-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-chloro-N-(4-fluoro-3-methylphenyl)-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine
PubChem CID114268265
Molecular FormulaC13H11ClFN3S
Molecular Weight295.77 g/mol
Exact Mass295.03
IUPAC Name2-chloro-N-(4-fluoro-3-methylphenyl)-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine
SMILESCc1cc(Nc2nc(Cl)nc3c2SCC3)ccc1F
InChIInChI=1S/C13H11ClFN3S/c1-7-6-8(2-3-9(7)15)16-12-11-10(4-5-19-11)17-13(14)18-12/h2-3,6H,4-5H2,1H3,(H,16,17,18)
InChIKeyAVKZUQVOVKRTTO-UHFFFAOYSA-N
XLogP3.97
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.77
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(4-fluoro-3-methylphenyl)-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine?
The IUPAC name of 2-chloro-N-(4-fluoro-3-methylphenyl)-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine (CID 114268265) is 2-chloro-N-(4-fluoro-3-methylphenyl)-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine.
What is the SMILES notation for 2-chloro-N-(4-fluoro-3-methylphenyl)-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine?
The canonical SMILES for 2-chloro-N-(4-fluoro-3-methylphenyl)-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine is Cc1cc(Nc2nc(Cl)nc3c2SCC3)ccc1F.
What is the InChIKey of 2-chloro-N-(4-fluoro-3-methylphenyl)-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine?
The InChIKey is AVKZUQVOVKRTTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClFN3S/c1-7-6-8(2-3-9(7)15)16-12-11-10(4-5-19-11)17-13(14)18-12/h2-3,6H,4-5H2,1H3,(H,16,17,18).
What are the key properties of 2-chloro-N-(4-fluoro-3-methylphenyl)-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine?
2-chloro-N-(4-fluoro-3-methylphenyl)-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine has a molecular weight of 295.77 g/mol, XLogP of 3.97, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(4-fluoro-3-methylphenyl)-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine is sourced from PubChem (CID 114268265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).